Chem
J-GLOBAL ID：201407051447499260   Nikkaji number：J3.254.012K

(2R)-N-[(3S)-3,4-Dihydroxybutyl]-3α-(2-fluoro-3-chlorophenyl)-4β-(2-fluoro-4-chlorophenyl)-4-cyano-5α-(2,2-dimethylpropyl)pyrrolidine-2β-carboxamide

(2R)-N-[(3S)-3,4-ジヒドロキシブチル]-3α-(2-フルオロ-3-クロロフェニル)-4β-(2-フルオロ-4-クロロフェニル)-4-シアノ-5α-(2,2-ジメチルプロピル)ピロリジン-2β-カルボアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H31Cl2F2N3O3
Molecular formula furigana： C27-H31-CL2-F2-N3-O3
Molecular weight： 554.460
InChI： InChI=1S/C27H31Cl2F2N3O3/c1-26(2,3)12-21-27(14-32,18-8-7-15(28)11-20(18)30)22(17-5-4-6-19(29)23(17)31)24(34-21)25(37)33-10-9-16(36)13-35/h4-8,11,16,21-22,24,34-36H,9-10,12-13H2,1-3H3,(H,33,37)/t16-,21-,22-,24+,27-/m0/s1
InChI key： MSOWFEGZEMCNQZ-UIHIWPSYSA-N
SMILES： CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F)C(=O)NCC[C@H](O)CO
Systematic name  (3)：
  • (2R)-N-[(3S)-3,4-ジヒドロキシブチル]-3α-(2-フルオロ-3-クロロフェニル)-4β-(2-フルオロ-4-クロロフェニル)-4-シアノ-5α-(2,2-ジメチルプロピル)ピロリジン-2β-カルボアミド
  • (2R,3S,4R,5S)-3-(3-クロロ-2-フルオロフェニル)-4-(4-クロロ-2-フルオロフェニル)-4-シアノ-N-[(3S)-3,4-ジヒドロキシブチル]-5-(2,2-ジメチルプロピル)ピロリジン-2-カルボキサミド
  • (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
Other name (1)：
  • (2R)-N-[(3S)-3,4-Dihydroxybutyl]-3α-(2-fluoro-3-chlorophenyl)-4β-(2-fluoro-4-chlorophenyl)-4-cyano-5α-(2,2-dimethylpropyl)pyrrolidine-2β-carboxamide
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