uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354444B2
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HCID67296761
rac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-2-methyl-pyrrolidine-2-carboxylic acid trifluoroacetic acid
3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-2-methylpyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
C26H27Cl2F3N2O4559.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)CC1NC(C)(C(=O)O)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1.O=C(O)C(F)(F)F
- InChIKey
- YBLQXRWUNWHSBK-UHFFFAOYSA-N
- 分子式
- C26H27Cl2F3N2O4
- 平均分子量
- 559.4 g/mol
- 单同位素质量
- 558.1299972
COMPUTED
结构计算性质
- 极性表面积
- 110 Ų
- 氢键供体
- 3
- 氢键受体
- 9
- 可旋转键
- 5
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 774
ALIASES
名称与别名
rac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-2-methyl-pyrrolidine-2-carboxylic acid trifluoroacetic acidSCHEMBL2151380
REACTIONS
参与反应
uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354444B2
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