HIT ID: HIT212064435
Cas No: 125971-95-1
分子式: C40H47FN2O5
分子量: 654.823
常用名: Atorvastatin acetonide tert-butyl ester
常用名: Atorvastatin acetonide tert-butyl ester
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 8.289425
IUPAC: tert-butyl 2-[(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate
IUPAC: tert-butyl 2-[(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)-c1ccccc1
SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)-c1ccccc1
InChI key: NPPZOMYSGNZDKY-ROJLCIKYSA-N
