(3R,3As,6Ar)-Hexahydrofuro[2,3-B]Furan-3-Yl {(2S,3R)-4-[(1,3-Benzodioxol-5-Ylsulfonyl)(Isobutyl)Amino]-3-Hydroxy-1-Phenyl-2-Butanyl}Carbamate

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Formula C28H36N2O9S
IUPAC Name [(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] n-[(1s,2r)-3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate
Molecular Mass 576.658 g·mol−1
Heat of Formation 292.3 ± 16.7 kJ·mol−1
Dipole Moment 21.84 ± 1.08 D
Volume 638.08 Å 3
Surface Area 444.94 Å 2
HOMO Energy -7.47 ± 0.55 eV
LUMO Energy -4.55 ± 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)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutyl-amino)-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(2s,3r)-4-(1,3-benzodioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-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)-4-(1,3-benzodioxol-5-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
  • carbamic acid, [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl ester
  • n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutyl-amino)-1-(benzyl)-2-hydroxy-propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
  • n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutylamino)-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
InChIKey HNEIRZJZTYYDES-VPZBFSRCSA-N
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