[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[(3Z)-3-[(1H-benzimidazol-2-ylmethylamino)methylidene]-2-oxidanylidene-1H-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[(3Z)-3-[(1H-benzimidazol-2-ylmethylamino)methylidene]-2-oxidanylidene-1H-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[[(3Z)-3-[(1H-benzimidazol-2-ylmethylamino)methylene]-2-oxo-indolin-5-yl]sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[[(3Z)-3-[(1H-benzimidazol-2-ylmethylamino)methylidene]-2-oxo-1H-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester IUPAC Name: [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[(3Z)-3-[(1H-benzimidazol-2-ylmethylamino)methylidene]-2-oxo-1H-indol-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[[(3Z)-3-[(1H-benzimidazol-2-ylmethylamino)methylene]-2-keto-indolin-5-yl]sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamic acid [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C38H44N6O8S MolecularWeight: 744.85636

Click to see the large picture

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)NC(=O)C5=CNCC6=NC7=CC=CC=C7N6

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2COC3C2CCO3)O)S(=O)(=O)C4=CC\5=C(C=C4)NC(=O)/C5=C\NCC6=NC7=CC=CC=C7N6

InChI

InChI=1S/C38H44N6O8S/c1-23(2)20-44(21-33(45)32(16-24-8-4-3-5-9-24)43-38(47)52-34-22-51-37-26(34)14-15-50-37)53(48,49)25-12-13-29-27(17-25)28(36(46)42-29)18-39-19-35-40-30-10-6-7-11-31(30)41-35/h3-13,17-18,23,26,32-34,37,39,45H,14-16,19-22H2,1-2H3,(H,40,41)(H,42,46)(H,43,47)/b28-18-/t26?,32-,33+,34-,37?/m0/s1