(4R)-3-[(2S,3S)-3-{[(2,6-Dimethylphenoxy)Acetyl]Amino}-2-Hydroxy-4-Phenylbutanoyl]-5,5-Dimethyl-N-(2-Methyl-2-Propanyl)-1,3-Thiazolidine-4-Carboxamide

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Properties Simple | Detailed

Formula C30H41N3O5S
IUPAC Name (4r)-n-tert-butyl-3-[(2s,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
Molecular Mass 555.729 g·mol−1
Heat of Formation -898.3 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 702.42 Å 3
Surface Area 502.6 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-n-tert-butyl-3-[(2s,3s)-3-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
  • (4r)-n-tert-butyl-3-[(2s,3s)-3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxamide
  • (4r)-n-tert-butyl-3-[(2s,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
  • je-1482
  • kni-727
  • n-(3-((4r)-4-(n-(tert-butyl)carbamoyl)-5,5-dimethyl(1,3-thiazolidin-3-yl))(1s,2s)-2-hydroxy-3-oxo-1-benzylpropyl)-2-(2,6-dimethylphenoxy)acetamide
  • n-(3-{(4r)-4-[n-(tert-butyl)carbamoyl]-5,5-dimethyl(1,3-thiazolidin-3-yl)}(1s,2s)-2-hydroxy-3-oxo-1-benzylpropyl)-2-(2,6-dimethylphenoxy)acetamide
  • thiazolidinecarboxamide, n-(1,1-dimethylethyl)-3-((2s,3s)-3-(((2,6-dimethylphenoxy)acetyl)amino)-2-hydroxy-1-oxo-4-phenylbutyl)-5,5-dimethyl-, (4r)-
  • thiazolidinecarboxamide, n-(1,1-dimethylethyl)-3-[(2s,3s)-3-[[(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-, (4r)-
CAS Number(s)
  • 189357-33-3
InChIKey CSWRAOHDICNMPU-LLZJGCNPSA-N
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