[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[2-methylpropyl-[[3-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-5-yl]sulfonyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[2-methylpropyl-[[3-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-5-yl]sulfonyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[3-[[2-(2-pyridyl)ethylamino]methyl]benzofuran-5-yl]sulfonyl-amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[[3-[[2-(2-pyridinyl)ethylamino]methyl]-5-benzofuranyl]sulfonyl]amino]-1-phenylbutan-2-yl]carbamic acid [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester IUPAC Name: [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[[3-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-5-yl]sulfonyl]amino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[3-[[2-(2-pyridyl)ethylamino]methyl]benzofuran-5-yl]sulfonyl-amino]propyl]carbamic acid [(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C37H46N4O8S MolecularWeight: 706.84814

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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)OC=C5CNCCC6=CC=CC=N6

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OC=C5CNCCC6=CC=CC=N6

InChI

InChI=1S/C37H46N4O8S/c1-25(2)21-41(50(44,45)29-11-12-34-31(19-29)27(23-47-34)20-38-16-13-28-10-6-7-15-39-28)22-33(42)32(18-26-8-4-3-5-9-26)40-37(43)49-35-24-48-36-30(35)14-17-46-36/h3-12,15,19,23,25,30,32-33,35-36,38,42H,13-14,16-18,20-22,24H2,1-2H3,(H,40,43)/t30-,32-,33+,35?,36+/m0/s1