(5S)-N-{(2S,3R)-4-[(1,3-Benzodioxol-5-Ylsulfonyl)(Isobutyl)Amino]-3-Hydroxy-1-Phenyl-2-Butanyl}-2-Oxo-3-[3-(Trifluoromethyl)Phenyl]-1,3-Oxazolidine-5-Carboxamide

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Properties Simple | Detailed

Formula C32H34F3N3O8S
IUPAC Name (5s)-n-[(1s,2r)-3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide
Molecular Mass 677.688 g·mol−1
Heat of Formation -1790.8 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 749.6 Å 3
Surface Area 506.3 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutyl-amino)-1-(benzyl)-2-hydroxy-propyl]-2-keto-3-[3-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide
  • (5s)-n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutyl-amino)-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide
  • (5s)-n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutylamino)-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-5-oxazolidinecarboxamide
  • (5s)-n-[(2s,3r)-4-(1,3-benzodioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-phenyl-butan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
  • (5s)-n-[(2s,3r)-4-(1,3-benzodioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
  • 5-oxazolidinecarboxamide, n-[(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(3-trifluoromethylphenyl)-2-oxo-, (5s)-
InChIKey IAINWMUGEQGIGE-HFASVGIHSA-N
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