(3R,3As,6Ar)-Hexahydrofuro[2,3-B]Furan-3-Yl {(2S,3R)-3-Hydroxy-4-[Isobutyl({(3Z)-3-[1-(Methylamino)Ethylidene]-2-Oxo-2,3-Dihydro-1H-Indol-5-Yl}Sulfonyl)Amino]-1-Phenyl-2-Butanyl}Carbamate

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Formula C32H42N4O8S
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-[(3z)-3-[1-(methylamino)ethylidene]-2-oxo-indolin-5-yl]sulfonyl-amino]propyl]carbamate
Molecular Mass 642.763 g·mol−1
Heat of Formation -1325.0 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 754.81 Å 3
Surface Area 558.13 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.54 ± 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-[(3z)-3-(1-methylaminoethylidene)-2-oxo-indolin-5-yl]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-[[(3z)-3-(1-methylaminoethylidene)-2-oxo-1h-indol-5-yl]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-[[(3z)-3-(1-methylaminoethylidene)-2-oxo-1h-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
  • carbamic acid, [(1s,2r)-3-[[[(3z)-2,3-dihydro-3-[1-(methylamino)ethylidene]-2-oxo-1h-indol-5-yl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl ester
  • n-[(1s,2r)-2-hydroxy-3-[isobutyl-[[(3z)-3-(1-methylaminoethylidene)-2-oxo-5-indolinyl]sulfonyl]amino]-1-(phenylmethyl)propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
InChIKey CJXWCYBPIXFWOP-PEXZKGFOSA-N
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