(2S,4S,5R)-2-Isobutyl-1-[4-(2-Methyl-2-Propanyl)Benzoyl]-5-(1,3-Thiazol-2-Yl)-2,4-Pyrrolidinedicarboxylic Acid

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Formula C24H30N2O5S
IUPAC Name (2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid
Molecular Mass 458.570 g·mol−1
Heat of Formation -813.6 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 539.33 Å 3
Surface Area 413.2 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
  • (2s,4s,5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-thiazol-2-yl-pyrrolidine-2,4-dicarboxylic acid
  • (2s,4s,5r)-1-(4-tert-butylphenyl)carbonyl-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
  • (2s,4s,5r)-1-[(4-tert-butylphenyl)-oxomethyl]-2-isobutyl-5-(2-thiazolyl)pyrrolidine-2,4-dicarboxylic acid
InChIKey SWYJAQWTBADJTB-RHGYRFJNSA-N
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