(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-methylpentanamido]hexanamido]acetamido}-3-methylbutanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-[(2S)-2-{[(1S)-1-{[(2R)-3-{[(2Z,6E)-3-ethenyl-7,11-dimethyldodeca-2,6,10-trien-1-yl]sulfanyl}-1-methoxy-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

化合物标识与属性

PubChem CID

102331572

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C)C(=O)N[C@@H](CSC/C=C(/CC/C=C(\C)/CCC=C(C)C)\C=C)C(=O)OC)NC(=O)[C@H](CC5=CC=C(C=C5)O)N

Canonical SMILES

C=C/C(=C\CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)OC)CC/C=C(\C)CCC=C(C)C