HIT ID: HIT100462324
Cas No: 1094100-06-7
分子式: C22H28FN3O6S
分子量: 481.54
常用名: (3R,5R)-Rosuvastatin
氢键受体数 (HBA): 8
氢键供体数 (HBD): 3
LogP: 1.9229605
IUPAC: (3R,5R,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
IUPAC: (3R,5R,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
SMILES: CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O
SMILES: CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O
InChI key: BPRHUIZQVSMCRT-YXWZHEERSA-N
