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

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Properties Simple | Detailed

Formula C33H37N3O9S
IUPAC Name (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-oxo-oxazolidine-5-carboxamide
Molecular Mass 651.727 g·mol−1
Heat of Formation -1219.7 ± 16.7 kJ·mol−1
Dipole Moment 8.05 ± 1.08 D
Volume 757.74 Å 3
Surface Area 604.77 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutyl-amino)-1-(benzyl)-2-hydroxy-propyl]-2-keto-oxazolidine-5-carboxamide
  • (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutyl-amino)-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-oxazolidine-5-carboxamide
  • (5s)-3-(3-acetylphenyl)-n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutylamino)-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-5-oxazolidinecarboxamide
  • (5s)-3-(3-acetylphenyl)-n-[(2s,3r)-4-(1,3-benzodioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
  • (5s)-n-[(2s,3r)-4-(1,3-benzodioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-phenyl-butan-2-yl]-3-(3-ethanoylphenyl)-2-oxo-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-acetylphenyl)-2-oxo-, (5s)-
InChIKey GNJDFMNCMAQPGN-QXIHQKPUSA-N
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