HIT ID: HIT211999214
Cas No: 355806-00-7
分子式: C26H36FN3O6S
分子量: 537.65
常用名: (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl) methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl ester
常用名: (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl) methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid tert-butyl ester
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 3.1228142
IUPAC: tert-butyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
IUPAC: tert-butyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
SMILES: CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)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)OC(C)(C)C)N(C)S(C)(=O)=O
InChI key: IJHZGLLGELSZAF-OKLSWEBGSA-N
