HCID67999543
methyl 2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((S)-1-(N,1-dimethylcyclopropanesulfonamido)butan-2-yl)-3-methyl-2-oxopiperidin-3-yl)acetate
methyl 2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-1-[methyl-(1-methylcyclopropyl)sulfonylamino]butan-2-yl]-2-oxopiperidin-3-yl]acetate
C30H38Cl2N2O5S609.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC[C@@H](CN(C)S(=O)(=O)C1(C)CC1)N1C(=O)[C@@](C)(CC(=O)OC)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
- InChIKey
- PMFZNEOUEYQSHR-HLBHGXTFSA-N
- 分子式
- C30H38Cl2N2O5S
- 平均分子量
- 609.6 g/mol
- 单同位素质量
- 608.1878489
COMPUTED
结构计算性质
- XLogP
- 5.5
- 极性表面积
- 92.4 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 11
- 重原子
- 40
- 形式电荷
- 0
- 复杂度
- 1,020
ALIASES
名称与别名
SCHEMBL9992197PMFZNEOUEYQSHR-HLBHGXTFSA-Nmethyl 2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((S)-1-(N,1-dimethylcyclopropanesulfonamido)butan-2-yl)-3-methyl-2-oxopiperidin-3-yl)acetate
REACTIONS
参与反应
当前筛选下没有反应记录。