HIT ID: HIT212715160
Cas No: 708258-16-6
分子式: C28H40N4O5
分子量: 512.651
常用名: BMS-354326
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 0.24072196
IUPAC: (2S,3R)-4-oxo-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]-3-[2-(piperidin-3-yl)ethyl]azetidine-2-carboxylic acid
IUPAC: (2S,3R)-4-oxo-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]-3-[2-(piperidin-3-yl)ethyl]azetidine-2-carboxylic acid
SMILES: OC(=O)[C@@H]1[C@@H](CCC2CCCNC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
SMILES: OC(=O)[C@@H]1[C@@H](CCC2CCCNC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1
InChI key: XVYFBYVSZOCXRJ-OMQKAAQBSA-N
