[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[2-methylpropyl-[3-phenethyl-2-(2-pyrrolidin-1-ylethylamino)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-phenethyl-2-(2-pyrrolidin-1-ylethylamino)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-phenethyl-2-(2-pyrrolidin-1-ylethylamino)benzimidazol-5-yl]sulfonyl-amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[[3-phenethyl-2-[2-(1-pyrrolidinyl)ethylamino]-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-phenethyl-2-(2-pyrrolidin-1-ylethylamino)benzimidazol-5-yl]sulfonylamino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[3-phenethyl-2-(2-pyrrolidinoethylamino)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: C42H56N6O7S MolecularWeight: 788.99504

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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=C(N5CCC6=CC=CC=C6)NCCN7CCCC7

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=C(N5CCC6=CC=CC=C6)NCCN7CCCC7

InChI

InChI=1S/C42H56N6O7S/c1-30(2)27-47(28-38(49)36(25-32-13-7-4-8-14-32)45-42(50)55-39-29-54-40-34(39)18-24-53-40)56(51,52)33-15-16-35-37(26-33)48(22-17-31-11-5-3-6-12-31)41(44-35)43-19-23-46-20-9-10-21-46/h3-8,11-16,26,30,34,36,38-40,49H,9-10,17-25,27-29H2,1-2H3,(H,43,44)(H,45,50)/t34-,36-,38+,39-,40+/m0/s1