[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[2-methylpropyl-[3-(pyridin-4-ylmethyl)benzimidazol-5-yl]sulfonyl-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-methylpropyl-[3-(pyridin-4-ylmethyl)benzimidazol-5-yl]sulfonyl-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-[3-(4-pyridylmethyl)benzimidazol-5-yl]sulfonyl-amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[[3-(pyridin-4-ylmethyl)-5-benzimidazolyl]sulfonyl]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-methylpropyl-[3-(pyridin-4-ylmethyl)benzimidazol-5-yl]sulfonylamino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[3-(4-pyridylmethyl)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: C34H41N5O7S MolecularWeight: 663.78364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=CN5CC6=CC=NC=C6

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=CN5CC6=CC=NC=C6

InChI

InChI=1S/C34H41N5O7S/c1-23(2)18-39(47(42,43)26-8-9-28-30(17-26)38(22-36-28)19-25-10-13-35-14-11-25)20-31(40)29(16-24-6-4-3-5-7-24)37-34(41)46-32-21-45-33-27(32)12-15-44-33/h3-11,13-14,17,22-23,27,29,31-33,40H,12,15-16,18-21H2,1-2H3,(H,37,41)/t27-,29-,31+,32-,33+/m0/s1