Brecanavir

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Formula C33H41N3O10S2
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]-2-hydroxy-1-[[4-[(2-methylthiazol-4-yl)methoxy]phenyl]methyl]propyl]carbamate
Molecular Mass 703.823 g·mol−1
Heat of Formation -1451.0 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 792.97 Å 3
Surface Area 620.12 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3as,6ar)-hexahydrofuro(2,3-b)furan-3-yl ((1s,2r)-3-((1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(4-((2-methylthiazol-4-yl)methoxy)benzyl)propyl)carbamate
  • (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-2-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzyl}propyl]carbamate
  • [(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-[[4-[(2-methylthiazol-4-yl)methoxy]phenyl]methyl]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-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate
  • brecanavir (usan)
  • carbamic acid, ((1s,2r)-3-((1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-((4-((2-methyl-4-thiazolyl)methoxy)phenyl)methyl)propyl)?, (3r,3as,6ar)-hexahydrofuro(2,3-b)furan-3-yl ester
  • carbamic acid, [(1s,2r)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]-, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl ester
  • d03253
  • gw0385
  • gw640385
  • gw64085x
  • n-[(1s,2r)-3-(1,3-benzodioxol-5-ylsulfonyl-isobutyl-amino)-2-hydroxy-1-[4-[(2-methylthiazol-4-yl)methoxy]benzyl]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-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
  • vx-385
CAS Number(s)
  • 313682-08-5
InChIKey JORVRJNILJXMMG-OLNQLETPSA-N
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