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

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Properties Simple | Detailed

Formula C32H36F3N3O7S
IUPAC Name (5s)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide
Molecular Mass 663.704 g·mol−1
Heat of Formation -1710.8 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 748.11 Å 3
Surface Area 497.21 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-n-[(1s,2r)-1-(benzyl)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-2-keto-3-[3-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide
  • (5s)-n-[(1s,2r)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide
  • (5s)-n-[(1s,2r)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonylamino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-5-oxazolidinecarboxamide
  • (5s)-n-[(2s,3r)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-butan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
  • (5s)-n-[(2s,3r)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
  • 5-oxazolidinecarboxamide, n-[(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[(3-trifluoromethyl)phenyl]-, (5s)-
InChIKey DDUYAVRQCCSESZ-NHKHRBQYSA-N
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