(2S,4S,5R)-2-Isobutyl-5-(2-Thienyl)-1-[4-(Trifluoromethyl)Benzoyl]-2,4-Pyrrolidinedicarboxylic Acid

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Formula C22H22F3NO5S
IUPAC Name (2s,4s,5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
Molecular Mass 469.474 g·mol−1
Heat of Formation -1424.6 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 512.03 Å 3
Surface Area 393.25 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r)-2-(2-methylpropyl)-5-thiophen-2-yl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
  • (2s,4s,5r)-2-(2-methylpropyl)-5-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]carbonyl-pyrrolidine-2,4-dicarboxylic acid
  • (2s,4s,5r)-2-isobutyl-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid
  • (2s,4s,5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid
  • 2,4-pyrrolidinedicarboxylic acid, 2-(2-methylpropyl)-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]-, (2s,4s,5r)-
  • 2,4-pyrrolidinedicarboxylic acid, 2-(2-methylpropyl)-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]-, (2s,4s,5r)-(+)-
InChIKey ZNCZVHCYBGHCHA-XPIZARPCSA-N
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