4-(4-{(2S,5S)-5-[2-(Dibenzylamino)-2-Oxoethyl]-2-Heptyl-4-Oxo-1,3-Thiazolidin-3-Yl}Butyl)Benzoic Acid

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Formula C37H46N2O4S
IUPAC Name 4-[4-[(2s,5s)-5-[2-(dibenzylamino)-2-oxo-ethyl]-2-heptyl-4-oxo-thiazolidin-3-yl]butyl]benzoic acid
Molecular Mass 614.837 g·mol−1
Heat of Formation -649.5 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 784.49 Å 3
Surface Area 663.74 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine
  • 4-[4-[(2s,5s)-5-[2-(bis(benzyl)amino)-2-keto-ethyl]-2-heptyl-4-keto-thiazolidin-3-yl]butyl]benzoic acid
  • 4-[4-[(2s,5s)-5-[2-(bis(phenylmethyl)amino)-2-oxo-ethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl]butyl]benzoic acid
  • 4-[4-[(2s,5s)-5-[2-(bis(phenylmethyl)amino)-2-oxo-ethyl]-2-heptyl-4-oxo-thiazolidin-3-yl]butyl]benzoic acid
  • 4-[4-[(2s,5s)-5-[2-(bis(phenylmethyl)amino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl]butyl]benzoic acid
  • 4-[4-[(2s,5s)-5-[2-(bis(phenylmethyl)amino)-2-oxoethyl]-2-heptyl-4-oxo-3-thiazolidinyl]butyl]benzoic acid
  • gw0072
  • thiazolidinone
InChIKey GHJJBEKMPCOSRH-LRHLLKFHSA-N
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