反应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
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

已同步
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

共 3 条
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

0

当前筛选下没有反应记录。