HIT ID: HIT212710230
Cas No: 125989-15-3
分子式: C40H55N9O8S
分子量: 822
常用名: L 659874
氢键受体数 (HBA): 8
氢键供体数 (HBD): 9
LogP: -0.6613066
IUPAC: (2S)-N-[(1S)-1-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-4-(methylsulfanyl)butanamido]pentanediamide
IUPAC: (2S)-N-[(1S)-1-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-4-(methylsulfanyl)butanamido]pentanediamide
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
InChI key: RDESGNZZHYRWNM-ZTTXAYQISA-N
