[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-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-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-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)-1-benzyl-2-hydroxy-3-[isobutyl-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-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)-3-hydroxy-4-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]amino]propyl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C29H38N4O7S MolecularWeight: 586.69962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C(CC3=CC=CC=C3)NC(=O)OC4COC5C4CCO5)O

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N(C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)CC(C)C

InChI

InChI=1S/C29H38N4O7S/c1-18(2)15-33(41(36,37)21-9-10-23-24(14-21)31-19(3)30-23)16-26(34)25(13-20-7-5-4-6-8-20)32-29(35)40-27-17-39-28-22(27)11-12-38-28/h4-10,14,18,22,25-28,34H,11-13,15-17H2,1-3H3,(H,30,31)(H,32,35)/t22-,25-,26+,27-,28+/m0/s1