(3As,5R,6Ar)-Hexahydro-2H-Cyclopenta[B]Furan-5-Yl {(2S,3R)-3-Hydroxy-4-[{[4-(Hydroxymethyl)Phenyl]Sulfonyl}(Isobutyl)Amino]-1-Phenyl-2-Butanyl}Carbamate

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Properties Simple | Detailed

Formula C29H40N2O7S
IUPAC Name [2-(dioxido-λ4-sulfanylidene)cyclopropylidene]methanone; (3-isocyanato-2-oxo-deca-4,6,8-triynyl)-methylidyne-ammonium; (5z,7z)-1-oxacycloocta-5,7-dien-2-yn-4-one; prop-1-yne
Molecular Mass 560.702 g·mol−1
Heat of Formation -1208.1 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 678.22 Å 3
Surface Area 542.34 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl (2s,3s)-3-hydroxy-4-(4-(hydroxymethyl)-n-isobutylphenylsulfonamido)-1-phenylbutan-2-ylcarbamate
  • [(3as,5r,6ar)-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-5-yl] n-[(1s,2r)-2-hydroxy-3-[[4-(hydroxymethyl)phenyl]sulfonyl-isobutyl-amino]-1-(phenylmethyl)propyl]carbamate
  • [(3as,5r,6ar)-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-5-yl] n-[(2s,3r)-3-hydroxy-4-[[4-(hydroxymethyl)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenyl-butan-2-yl]carbamate
  • [(3as,5r,6ar)-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-5-yl] n-[(2s,3r)-3-hydroxy-4-[[4-(hydroxymethyl)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
  • carbamic acid, [(1s,2r)-2-hydroxy-3-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3as,5r,6ar)-hexahydro-2h-cyclopenta[b]furan-5-yl ester
  • grl
  • grl-06579a
  • n-[(1s,2r)-1-(benzyl)-2-hydroxy-3-[isobutyl-(4-methylolphenyl)sulfonyl-amino]propyl]carbamic acid [(3as,5r,6ar)-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-5-yl] ester
  • n-[(1s,2r)-2-hydroxy-3-[[4-(hydroxymethyl)phenyl]sulfonyl-isobutylamino]-1-(phenylmethyl)propyl]carbamic acid [(3as,5r,6ar)-3,3a,4,5,6,6a-hexahydro-2h-cyclopenta[b]furan-5-yl] ester
InChIKey VYBDPVQMILRSMK-GRXYLYAXSA-N
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