(3R,3As,6Ar)-Hexahydrofuro[2,3-B]Furan-3-Yl [(2S,3R)-3-Hydroxy-4-{Isobutyl[(4-Methoxyphenyl)Sulfonyl]Amino}-1-Phenyl-2-Butanyl]Carbamate

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Formula C28H38N2O8S
IUPAC Name [(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] n-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]carbamate
Molecular Mass 562.675 g·mol−1
Heat of Formation -1319.1 ± 16.7 kJ·mol−1
Dipole Moment 10.07 ± 1.08 D
Volume 664.22 Å 3
Surface Area 522.98 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(1s,2r)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]-1-(phenylmethyl)propyl]carbamate
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(2s,3r)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-butan-2-yl]carbamate
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(2s,3r)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
  • carbamic acid, ((1s,2r)-2-hydroxy-3-(((4-methoxyphenyl)sulfonyl)(2-methylpropyl)amino)-1-(phenylmethyl)propyl)-, (3r,3as,6ar)-hexahydrofuro(2,3-b)furan-3-yl ester
  • carbamic acid, [(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl ester
  • djr
  • n-[(1s,2r)-1-(benzyl)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
  • n-[(1s,2r)-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonylamino]-1-(phenylmethyl)propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
  • tmc 126
  • tmc-126
  • uic 94003
  • uic-94003
  • uic-pi
CAS Number(s)
  • 206362-00-7
InChIKey BINXAIIXOUQUKC-UIPNDDLNSA-N
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