HIT ID: HIT212708313
Cas No: 1146977-93-6
分子式: C35H39FN2O5
分子量: 586.704
常用名: Atorvastatin ethyl ester
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 5.8898487
IUPAC: ethyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate
IUPAC: ethyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate
SMILES: CCOC(=O)C[C@H](O)C[C@H](O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c1-c1ccc(F)cc1)-c1ccccc1
SMILES: CCOC(=O)C[C@H](O)C[C@H](O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c1-c1ccc(F)cc1)-c1ccccc1
InChI key: CXXBPVDOSCOVJU-FQLXRVMXSA-N
