HIT ID: HIT212708936
Cas No:
分子式: C26H36N6O6
分子量: 528.61
常用名: Prothrombin (474-477) [Mus musculus]
常用名: Prothrombin (474-477) [Mus musculus]
氢键受体数 (HBA): 8
氢键供体数 (HBD): 6
LogP: -1.9125245
IUPAC: (2R)-1-{2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoyl}pyrrolidine-2-carboxylic acid
IUPAC: (2R)-1-{2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-4-yl)propanoyl}pyrrolidine-2-carboxylic acid
SMILES: [H][C@@]1(CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)CC)C(O)=O
SMILES: [H][C@@]1(CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](C)CC)C(O)=O
InChI key: FMFPZBKYTSVNCQ-HBLKAAFGSA-N
