Peptidomimetics
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Filtered Search Results
5,5-Diphenylhydantoin-3-butyric Acid, TRC
CAS: 56976-66-0 Molecular Formula: C19 H18 N2 O4 Molecular Weight (g/mol): 338.36 IUPAC Name: 4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butanoic acid SMILES: OC(=O)CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3
| CAS | 56976-66-0 |
|---|---|
| Molecular Weight (g/mol) | 338.36 |
| SMILES | OC(=O)CCCN1C(=O)NC(C1=O)(c2ccccc2)c3ccccc3 |
| IUPAC Name | 4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butanoic acid |
| Molecular Formula | C19 H18 N2 O4 |
MMAE, TRC
CAS: 474645-27-7 Molecular Formula: C39H67N5O7 Molecular Weight (g/mol): 717.98 Synonym: N-Methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide,MMAE,Monomethylauristatin E,Monomethylauristatin Norephedrine IUPAC Name: (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide SMILES: CC[C@@H]([C@H](N(C([C@@H](NC([C@@H](NC)C(C)C)=O)C(C)C)=O)C)[C@H](OC)CC(N1CCC[C@H]1[C@H](OC)[C@H](C(N[C@@H]([C@@H](O)C2=CC=CC=C2)C)=O)C)=O)C
| CAS | 474645-27-7 |
|---|---|
| Molecular Weight (g/mol) | 717.98 |
| SMILES | CC[C@@H]([C@H](N(C([C@@H](NC([C@@H](NC)C(C)C)=O)C(C)C)=O)C)[C@H](OC)CC(N1CCC[C@H]1[C@H](OC)[C@H](C(N[C@@H]([C@@H](O)C2=CC=CC=C2)C)=O)C)=O)C |
| Synonym | N-Methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide,MMAE,Monomethylauristatin E,Monomethylauristatin Norephedrine |
| IUPAC Name | (2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide |
| Molecular Formula | C39H67N5O7 |
Romidepsin, TRC
CAS: 128517-07-7 Molecular Formula: C24 H36 N4 O6 S2 Molecular Weight (g/mol): 540.7 Synonym: Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl], cyclic (3→5)-disulfide,L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, (4→1)-lactone, cyclic (1→2)-disulfide, [S-(E)]-,2-Oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricosane, cyclic peptide deriv.,Antibiotic FR 901228,Chromadax,FK 228,FR 901228,Istodax,NSC 630176,Romidepsin IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone SMILES: C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C
| CAS | 128517-07-7 |
|---|---|
| Molecular Weight (g/mol) | 540.7 |
| SMILES | C\C=C\1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |
| Synonym | Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl], cyclic (3→5)-disulfide,L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(Z)-2,3-didehydro-2-aminobutanoyl-, (4→1)-lactone, cyclic (1→2)-disulfide, [S-(E)]-,2-Oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricosane, cyclic peptide deriv.,Antibiotic FR 901228,Chromadax,FK 228,FR 901228,Istodax,NSC 630176,Romidepsin |
| IUPAC Name | (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone |
| Molecular Formula | C24 H36 N4 O6 S2 |
Peforelin Trifluoroacetic Acid Salt(>90%), TRC
High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.
| InChI Formula | InChI=1S/C59H74N18O14.C2HF3O2/c60-16-6-5-12-40(59(91)77-17-7-13-47(77)58(90)66-27-48(61)79)70-52(84)41(18-31-23-64-37-10-3-1-8-35(31)37)72-56(88)45(22-50(81)82)75-55(87)44(21-34-26-63-30-68-34)74-57(89)46(28-78)76-53(85)42(19-32-24-65-38-11-4-2-9-36(32)38)71-54(86)43(20-33-25-62-29-67-33)73-51(83)39-14-15-49(80)69-39;3-2(4,5)1(6)7/h1-4,8-11,23-26,29-30,39-47,64-65,78H,5-7,12-22,27-28,60H2,(H2,61,79)(H,62,67)(H,63,68)(H,66,90)(H,69,80)(H,70,84)(H,71,86)(H,72,88)(H,73,83)(H,74,89)(H,75,87)(H,76,85)(H,81,82);(H,6,7)/t39-,40-,41-,42-,43-,44-,45-,46-,47-;/m0./s1 |
|---|---|
| Chemical Name or Material | Peforelin Trifluoroacetic Acid Salt |
| SMILES | O=C(O)C(F)(F)F.O=C([C@@H](NC([C@H](CC1=CN=CN1)NC([C@@H](NC([C@H](CC2=CNC3=CC=CC=C32)NC([C@H](CC4=CN=CN4)NC([C@H]5NC(CC5)=O)=O)=O)=O)CO)=O)=O)CC(O)=O)N[C@H](C(N[C@H](C(N6CCC[C@H]6C(NCC(N)=O)=O)=O)CCCCN)=O)CC7=CNC8=CC=CC=C87 |
| Synonym | 3-L-Tryptophan-5-L-histidine-6-L-aspartic Acid Luteinizing Hormone-releasing Factor I (Petromyzon Marinus) Trifluoroacetic Acid Salt,Luteinizing Hormone-releasing Factor III (Petromyzon Marinus) Trifluoroacetic Acid Salt,5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-histidyl-L-α-aspartyl-L-tryptophyl-L-lysyl-L-prolylglycinamide Trifluoroacetic Acid Salt,Lamprey GnRH III Trifluoroacetic Acid Salt,Lamprey LH-RH III Trifluoroacetic Acid Salt |
| Recommended Storage | +4°C |
| Molecular Formula | C59H74N18O14 .C2HF3O2 |
N-Acetyl-L-carnosine, TRC
CAS: 56353-15-2 Molecular Formula: C11 H16 N4 O4 Molecular Weight (g/mol): 268.27 IUPAC Name: (2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-4-yl)propanoic acid SMILES: CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
| CAS | 56353-15-2 |
|---|---|
| Molecular Weight (g/mol) | 268.27 |
| SMILES | CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O |
| IUPAC Name | (2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-4-yl)propanoic acid |
| Molecular Formula | C11 H16 N4 O4 |
Actinomycin D (Dactinomycin), TRC
CAS: 50-76-0 Molecular Formula: C62 H86 N12 O16 Molecular Weight (g/mol): 1255.42 Synonym: Actinomycin D,3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo- (7CI),Actinomycin C1 (6CI),1H-Pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecine, cyclic peptide deriv.,3H-Phenoxazine, actinomycin D deriv.,AD,Actactinomycin A IV,Actinomycin 7,Actinomycin AIV,Actinomycin I1,Actinomycin IV,Actinomycin X1,Actinomycindioic D acid, dilactone,C 1,Chounghwamycin B,Cosmegen,Dactinomycin,Dactinomycin D,Dilactone actinomycin D acid,Dilactone actinomycindioic D acid,Lyovac cosmegen,Meractinomycin,NCI C04682,NSC 3053,Oncostatin K IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide SMILES: CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O
| CAS | 50-76-0 |
|---|---|
| Molecular Weight (g/mol) | 1255.42 |
| SMILES | CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4N=C23)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]7CCCN7C1=O |
| Synonym | Actinomycin D,3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(hexadecahydro-6,13-diisopropyl-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo- (7CI),Actinomycin C1 (6CI),1H-Pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecine, cyclic peptide deriv.,3H-Phenoxazine, actinomycin D deriv.,AD,Actactinomycin A IV,Actinomycin 7,Actinomycin AIV,Actinomycin I1,Actinomycin IV,Actinomycin X1,Actinomycindioic D acid, dilactone,C 1,Chounghwamycin B,Cosmegen,Dactinomycin,Dactinomycin D,Dilactone actinomycin D acid,Dilactone actinomycindioic D acid,Lyovac cosmegen,Meractinomycin,NCI C04682,NSC 3053,Oncostatin K |
| IUPAC Name | 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide |
| Molecular Formula | C62 H86 N12 O16 |
(8S,9R)-BMN 673, TRC
CAS: 1207456-01-6 Molecular Formula: C19H14F2N6O Molecular Weight (g/mol): 380.35 Synonym: (8S,9R)-BMN 673,(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one SMILES: Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5
| CAS | 1207456-01-6 |
|---|---|
| Molecular Weight (g/mol) | 380.35 |
| SMILES | Cn1ncnc1[C@@H]2[C@H](Nc3cc(F)cc4C(=O)NN=C2c34)c5ccc(F)cc5 |
| Synonym | (8S,9R)-BMN 673,(8S,9R)-5-Fluoro-8-(4-fluorophenyl)-2,7,8,9-tetrahydro-9-(1-methyl-1H-1,2,4-triazol-5-yl)-3H-pyrido[4,3,2-de]phthalazin-3-one |
| Molecular Formula | C19H14F2N6O |
Cyclosporin B, TRC
CAS: 63775-95-1 Molecular Formula: C61 H109 N11 O12 Molecular Weight (g/mol): 1188.58 Synonym: Ciclosporin B,7-L-Alanine-cyclosporin A,Cyclosporin B,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Antibiotic S 7481F2,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-alanyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](C)NC1=O)C(C)C
| CAS | 63775-95-1 |
|---|---|
| Molecular Weight (g/mol) | 1188.58 |
| SMILES | C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](C)NC1=O)C(C)C |
| Synonym | Ciclosporin B,7-L-Alanine-cyclosporin A,Cyclosporin B,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Antibiotic S 7481F2,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-alanyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] |
| IUPAC Name | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28,30-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| Molecular Formula | C61 H109 N11 O12 |
Iso Cyclosporin A, TRC
CAS: 59865-16-6 Molecular Formula: C62 H111 N11 O12 Molecular Weight (g/mol): 1202.61 Synonym: Isociclosporin A,(2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (11→1)-lactone,Isocyclosporin A,1-Oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane, cyclic peptide deriv.,[2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine sigma1-lactone IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-ethyl-34-[(E,2R)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: CC[C@@H]1NC(=O)[C@@H](NC)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)[C@H](C)C\C=C\C
| CAS | 59865-16-6 |
|---|---|
| Molecular Weight (g/mol) | 1202.61 |
| SMILES | CC[C@@H]1NC(=O)[C@@H](NC)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)[C@H](C)C\C=C\C |
| Synonym | Isociclosporin A,(2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (11→1)-lactone,Isocyclosporin A,1-Oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane, cyclic peptide deriv.,[2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine sigma1-lactone |
| IUPAC Name | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-ethyl-34-[(E,2R)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| Molecular Formula | C62 H111 N11 O12 |
Monomethyl Auristatin F, TRC
CAS: 745017-94-1 Molecular Formula: C39H65N5O8 Molecular Weight (g/mol): 731.96 Synonym: N-Methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-L-phenylalanine,MMAF,Monomethylauristatin Phenylalanine SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C
| CAS | 745017-94-1 |
|---|---|
| Molecular Weight (g/mol) | 731.96 |
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C |
| Synonym | N-Methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-L-phenylalanine,MMAF,Monomethylauristatin Phenylalanine |
| Molecular Formula | C39H65N5O8 |
Valspodar, TRC
CAS: 121584-18-7 Molecular Formula: C63 H111 N11 O12 Molecular Weight (g/mol): 1214.62 Synonym: 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine- IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
| CAS | 121584-18-7 |
|---|---|
| Molecular Weight (g/mol) | 1214.62 |
| SMILES | C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C |
| Synonym | 6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine- |
| IUPAC Name | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| Molecular Formula | C63 H111 N11 O12 |
Caspase-1 Inhibitor II, TRC
CAS: 178603-78-6 Molecular Formula: C24H33ClN4O8 Molecular Weight (g/mol): 540.99 Synonym: Ac-YVAD-CMK,N-Acetyl-L-tyrosyl-L-valyl-N-[(1S)-1-(carboxymethyl)-3-chloro-2-oxopropyl]-L-alaninamide IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-chloro-4-oxopentanoic acid SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CCl
| CAS | 178603-78-6 |
|---|---|
| Molecular Weight (g/mol) | 540.99 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CCl |
| Synonym | Ac-YVAD-CMK,N-Acetyl-L-tyrosyl-L-valyl-N-[(1S)-1-(carboxymethyl)-3-chloro-2-oxopropyl]-L-alaninamide |
| IUPAC Name | (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-chloro-4-oxopentanoic acid |
| Molecular Formula | C24H33ClN4O8 |
Enramycin A, TRC
CAS: 34438-27-2 Molecular Formula: C107H138Cl2N26O31 Molecular Weight (g/mol): 2355.33 Synonym: 1-Oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontane, enduracidin A derivative,[1(Z,E),10(R),15(R)]-N-(10-Methyl-1-oxo-2,4-undecadienyl)-L-α-aspartyl-L-threonyl-D-2-(4-hydroxyphenyl)glycyl-D-ornithyl-D-allothreonyl-L-2-(4-hydroxyphenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-L-allothreonyl-N5-(aminocarbonyl)-L-ornithyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-D-alanyl-L-2-(4-hydroxyphenyl)glycyl-D-seryl-L-2-(3,5-dichloro-4-hydroxyphenyl)glycylglycyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-L-alanyl-D-alanyl-L-2-(4-hydroxyphenyl)glycine ψ1-lactone; SMILES: CC(C)CCCC\C=C\C=C/C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]3CN=C(N)N3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c4ccc(O)cc4)[C@@H](C)O)c5ccc(O)cc5)c6ccc(O)cc6)[C@H](C)O)c7ccc(O)cc7)c8cc(Cl)c(O)c(Cl)c8)c9ccc(O)cc9
| CAS | 34438-27-2 |
|---|---|
| Molecular Weight (g/mol) | 2355.33 |
| SMILES | CC(C)CCCC\C=C\C=C/C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C[C@@H]2CN=C(N)N2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H]3CN=C(N)N3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC1=O)c4ccc(O)cc4)[C@@H](C)O)c5ccc(O)cc5)c6ccc(O)cc6)[C@H](C)O)c7ccc(O)cc7)c8cc(Cl)c(O)c(Cl)c8)c9ccc(O)cc9 |
| Synonym | 1-Oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecaazacyclononatetracontane, enduracidin A derivative,[1(Z,E),10(R),15(R)]-N-(10-Methyl-1-oxo-2,4-undecadienyl)-L-α-aspartyl-L-threonyl-D-2-(4-hydroxyphenyl)glycyl-D-ornithyl-D-allothreonyl-L-2-(4-hydroxyphenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-L-allothreonyl-N5-(aminocarbonyl)-L-ornithyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-D-alanyl-L-2-(4-hydroxyphenyl)glycyl-D-seryl-L-2-(3,5-dichloro-4-hydroxyphenyl)glycylglycyl-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-L-alanyl-D-alanyl-L-2-(4-hydroxyphenyl)glycine ψ1-lactone; |
| Molecular Formula | C107H138Cl2N26O31 |
Cyclosporin C, TRC
CAS: 59787-61-0 Molecular Formula: C62 H111 N11 O13 Molecular Weight (g/mol): 1218.61 Synonym: Ciclosporin C,7-L-Threonine-cyclosporin A,Cyclosporin C,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-threonyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone SMILES: C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C
| CAS | 59787-61-0 |
|---|---|
| Molecular Weight (g/mol) | 1218.61 |
| SMILES | C\C=C\C[C@@H](C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)[C@@H](C)O)C(C)C |
| Synonym | Ciclosporin C,7-L-Threonine-cyclosporin A,Cyclosporin C,1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontane, cyclic peptide deriv.,Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-threonyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl] |
| IUPAC Name | (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone |
| Molecular Formula | C62 H111 N11 O13 |