[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-(3-methyl-2-oxidanylidene-imidazolidin-1-yl)-1,3-benzothiazol-6-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-(3-methyl-2-oxidanylidene-imidazolidin-1-yl)-1,3-benzothiazol-6-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-(3-methyl-2-oxo-imidazolidin-1-yl)-1,3-benzothiazol-6-yl]sulfonyl]amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[[2-(3-methyl-2-oxo-1-imidazolidinyl)-1,3-benzothiazol-6-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-(3-methyl-2-oxoimidazolidin-1-yl)-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-[[2-(2-keto-3-methyl-imidazolidin-1-yl)-1,3-benzothiazol-6-yl]sulfonyl]amino]propyl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C32H41N5O8S2 MolecularWeight: 687.82664

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)N=C(S5)N6CCN(C6=O)C

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(S5)N6CCN(C6=O)C

InChI

InChI=1S/C32H41N5O8S2/c1-20(2)17-36(47(41,42)22-9-10-24-28(16-22)46-30(33-24)37-13-12-35(3)32(37)40)18-26(38)25(15-21-7-5-4-6-8-21)34-31(39)45-27-19-44-29-23(27)11-14-43-29/h4-10,16,20,23,25-27,29,38H,11-15,17-19H2,1-3H3,(H,34,39)/t23-,25-,26+,27-,29+/m0/s1