disodium [3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-1-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-4-phenyl-butan-2-yl] phosphate

Systemtic Name: disodium [3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-1-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]-4-phenyl-butan-2-yl] phosphate Openeye Name: disodium [2-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-1-[[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]methyl]-3-phenyl-propyl] phosphate CAS Name: disodium [3-[[2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxy(oxo)methyl]amino]-1-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-4-phenylbutan-2-yl] phosphate IUPAC Name: disodium [3-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-1-[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-4-phenylbutan-2-yl] phosphate Traditional Name: disodium [2-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-1-[[1,3-benzodioxol-5-ylsulfonyl-(4-cyano-2,2-dimethyl-butyl)amino]methyl]-3-phenyl-propyl] phosphate Formula: C31H38N3Na2O12PS MolecularWeight: 753.664621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)OP(=O)([O-])[O-])S(=O)(=O)C4=CC5=C(C=C4)OCO5.[Na+].[Na+]

Isomeric SMILES

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)OP(=O)([O-])[O-])S(=O)(=O)C4=CC5=C(C=C4)OCO5.[Na+].[Na+]

InChI

InChI=1S/C31H40N3O12PS.2Na/c1-31(2,12-6-13-32)19-34(48(39,40)22-9-10-25-26(16-22)44-20-43-25)17-27(46-47(36,37)38)24(15-21-7-4-3-5-8-21)33-30(35)45-28-18-42-29-23(28)11-14-41-29;;/h3-5,7-10,16,23-24,27-29H,6,11-12,14-15,17-20H2,1-2H3,(H,33,35)(H2,36,37,38);;/q;2*+1/p-2