[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[4-(methylsulfonylaminomethyl)phenoxy]phenyl]-3-oxidanyl-butan-2-yl]carbamate

Systemtic Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-1-[4-[4-(methylsulfonylaminomethyl)phenoxy]phenyl]-3-oxidanyl-butan-2-yl]carbamate Openeye 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-[4-(methanesulfonamidomethyl)phenoxy]phenyl]methyl]propyl]carbamate CAS Name: N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[4-(methanesulfonamidomethyl)phenoxy]phenyl]butan-2-yl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[4-(methanesulfonamidomethyl)phenoxy]phenyl]butan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-[4-[4-(methanesulfonamidomethyl)phenoxy]benzyl]propyl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C36H45N3O12S2 MolecularWeight: 775.8854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)CNS(=O)(=O)C)NC(=O)OC3COC4C3CCO4)O)S(=O)(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=C(C=C1)OC2=CC=C(C=C2)CNS(=O)(=O)C)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C36H45N3O12S2/c1-23(2)19-39(53(44,45)28-12-13-32-33(17-28)49-22-48-32)20-31(40)30(38-36(41)51-34-21-47-35-29(34)14-15-46-35)16-24-4-8-26(9-5-24)50-27-10-6-25(7-11-27)18-37-52(3,42)43/h4-13,17,23,29-31,34-35,37,40H,14-16,18-22H2,1-3H3,(H,38,41)/t29-,30-,31+,34-,35+/m0/s1