(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-6-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanamido}hexanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-(4-hydroxyphenyl)propanoic acid

化合物标识与属性

PubChem CID

177496720

SMILES

CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCNC(=O)CCCCCNC4=CC=C(C5=NON=C45)[N+](=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC8=CNC=N8)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)N

Canonical SMILES

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O