Chem
J-GLOBAL ID：200907054430321695   Nikkaji number：J2.524.620I

(2S)-1-[4-(Trifluoromethyl)benzoyl]-2-isobutyl-5α-(2-thienyl)pyrrolidine-2α,4α-dicarboxylic acid

(2S)-1-[4-(トリフルオロメチル)ベンゾイル]-2-イソブチル-5α-(2-チエニル)ピロリジン-2α,4α-ジカルボン酸
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： C22H22F3NO5S
Molecular formula furigana： C22-H22-F3-N-O5-S
Molecular weight： 469.480
InChI： InChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1
InChI key： ZNCZVHCYBGHCHA-XPIZARPCSA-N
SMILES： CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c1ccc(cc1)C(F)(F)F)c1cccs1)C(=O)O)C(=O)O
Systematic name  (4)：
  • (2S,4S,5R)-2-イソブチル-5-(2-チエニル)-1-[4-(トリフルオロメチル)ベンゾイル]ピロリジン-2,4-ジカルボン酸
  • (2S)-1-[4-(トリフルオロメチル)ベンゾイル]-2-イソブチル-5α-(2-チエニル)ピロリジン-2α,4α-ジカルボン酸
  • (2S,4S,5R)-2-(2-メチルプロピル)-5-(チオフェン-2-イル)-1-[4-(トリフルオロメチル)ベンゾイル]ピロリジン-2,4-ジカルボン酸
  • (2S,4S,5R)-2-(2-methylpropyl)-5-(thiophen-2-yl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
Other name (2)：
  • (2S,4S,5R)-2-Isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
  • (2S)-1-[4-(Trifluoromethyl)benzoyl]-2-isobutyl-5α-(2-thienyl)pyrrolidine-2α,4α-dicarboxylic acid
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