HIT ID: HIT212714892
Cas No: 887324-52-9
分子式: C33H35FN2O5
分子量: 558.65
常用名: Atorvastatin, (3S,5R)-
氢键受体数 (HBA): 5
氢键供体数 (HBD): 4
LogP: 5.387147
IUPAC: (3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
IUPAC: (3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(O)=O)-c1ccccc1
SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(O)=O)-c1ccccc1
InChI key: XUKUURHRXDUEBC-SXOMAYOGSA-N
