HIT ID: HIT212709017
Cas No: 142375-60-8
分子式: C33H44N6O5
分子量: 604.752
常用名: FR 139317
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 2.1957269
IUPAC: (2R)-2-[(2R)-2-[(2S)-2-[(azepane-1-carbonyl)amino]-4-methylpentanamido]-3-(1-methyl-1H-indol-3-yl)propanamido]-3-(pyridin-2-yl)propanoic acid
IUPAC: (2R)-2-[(2R)-2-[(2S)-2-[(azepane-1-carbonyl)amino]-4-methylpentanamido]-3-(1-methyl-1H-indol-3-yl)propanamido]-3-(pyridin-2-yl)propanoic acid
SMILES: CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O
InChI key: LIOKMIQQPDDTNO-UPRLRBBYSA-N
