uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354444B2
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HCID86640366
rac-(2R,3S,4R,5S)-4-(4-chloro-2-fluoro-phenyl)-3-(5-chloro-2-methoxy-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid trifluoroacetic acid
4-(4-chloro-2-fluorophenyl)-3-(5-chloro-2-methoxyphenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
C26H26Cl2F4N2O5593.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(Cl)cc1C1C(C(=O)O)NC(CC(C)(C)C)C1(C#N)c1ccc(Cl)cc1F.O=C(O)C(F)(F)F
- InChIKey
- XURIRZKWTFULOQ-UHFFFAOYSA-N
- 分子式
- C26H26Cl2F4N2O5
- 平均分子量
- 593.4 g/mol
- 单同位素质量
- 592.11549
COMPUTED
结构计算性质
- 极性表面积
- 120 Ų
- 氢键供体
- 3
- 氢键受体
- 11
- 可旋转键
- 6
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 822
ALIASES
名称与别名
rac-(2R,3S,4R,5S)-4-(4-chloro-2-fluoro-phenyl)-3-(5-chloro-2-methoxy-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid trifluoroacetic acidSCHEMBL2151532
REACTIONS
参与反应
uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08354444B2
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