HIT ID: HIT212661569
Cas No: 130348-99-1
分子式: C38H57N9O8
分子量: 767.929
常用名: C-Reactive Protein (CRP) (201-206)
常用名: C-Reactive Protein (CRP) (201-206)
氢键受体数 (HBA): 10
氢键供体数 (HBD): 8
LogP: -3.338132
IUPAC: (2S)-1-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}butanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
IUPAC: (2S)-1-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}butanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(O)=O
InChI key: IAHFIGAVNLUVKI-PUEDFKRLSA-N
