(4R)-3-{(2S,3S)-2-Hydroxy-3-[(3-Hydroxy-2-Methylbenzoyl)Amino]-4-Phenylbutanoyl}-5,5-Dimethyl-N-(2-Methyl-2-Propanyl)-1,3-Thiazolidine-4-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H37N3O5S
IUPAC Name (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
Molecular Mass 527.675 g·mol−1
Heat of Formation -868.2 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 663.65 Å 3
Surface Area 500.5 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
  • (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methyl-phenyl)carbonylamino]-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
  • (4r)-n-tert-butyl-3-[(2s,3s)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxamide
  • 4-thiazolidinecarboxamide, n-(1,1-dimethylethyl)-3-((2s,3s)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-,(4r)-
  • je-533
  • kni-577
  • n-(3-{(4r)-4-[n-(tert-butyl)carbamoyl]-5,5-dimethyl(1,3-thiazolidin-3-yl)}(1s,2s)-2-hydroxy-3-oxo-1-benzylpropyl)(3-hydroxy-2-methylphenyl)carboxamide
CAS Number(s)
  • 186537-85-9
InChIKey CGFVYUGIPISJQG-ACIOBRDBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N