HIT ID: HIT212661395
Cas No: TP1736L
分子式: C31H51N7O10
分子量: 681.788
常用名: Fibrinogen-Binding Peptide fb-acetate
常用名: Fibrinogen-Binding Peptide fb-acetate
氢键受体数 (HBA): 10
氢键供体数 (HBD): 7
LogP: -6.2974906
IUPAC: (4S)-4-amino-4-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid; butyl acetate
IUPAC: (4S)-4-amino-4-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid; butyl acetate
SMILES: CCCCOC(C)=O.[H][C@](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(O)=O)([C@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
SMILES: CCCCOC(C)=O.[H][C@](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(O)=O)([C@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
InChI key: LUGIKKQBEXOTRS-BZSAAPQTSA-N
