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Peptidomimetics

Organic compounds that are small, protein-like chains designed to mimic a peptide; peptides are small chains of amino acids linked by peptide bonds.

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1

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
2

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
3

9-Norketo FK-506, TRC

CAS: 123719-19-7 Molecular Formula: C43H69NO11 Molecular Weight (g/mol): 776.01 Synonym: [3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,25aR*]]- 3,4,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-Octadecahydro-5,19-dihydroxy-3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-15,19-epoxypyrido[2,1-c][1,4]oxaazacyclodocosine-1,7,20(22H)-trione SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC

CAS 123719-19-7
Molecular Weight (g/mol) 776.01
SMILES C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC
Synonym [3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,25aR*]]- 3,4,5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-Octadecahydro-5,19-dihydroxy-3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-15,19-epoxypyrido[2,1-c][1,4]oxaazacyclodocosine-1,7,20(22H)-trione
Molecular Formula C43H69NO11
4

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
5

Cyclosporin H, TRC

CAS: 83602-39-5 Molecular Formula: C62 H111 N11 O12 Molecular Weight (g/mol): 1202.61 Synonym: Ciclosporin H,5-(N-Methyl-D-valine)-cyclosporin A,Cyclosporin H,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-D-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl],Cyclosporine H,Sandoz 37-839 IUPAC Name: (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-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: CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(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)C1=O)C(C)C

CAS 83602-39-5
Molecular Weight (g/mol) 1202.61
SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(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)C1=O)C(C)C
Synonym Ciclosporin H,5-(N-Methyl-D-valine)-cyclosporin A,Cyclosporin H,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-D-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl],Cyclosporine H,Sandoz 37-839
IUPAC Name (3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-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 O12
6

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
7

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
8

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
9

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