disodium 2-[[4-methyl-1-[(1-oxidanidyl-1-oxidanylidene-propan-2-yl)-(4-phenylphenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-4-phenyl-butanoate

Systemtic Name: disodium 2-[[4-methyl-1-[(1-oxidanidyl-1-oxidanylidene-propan-2-yl)-(4-phenylphenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-4-phenyl-butanoate Openeye Name: disodium 2-[[3-methyl-1-[(1-methyl-2-oxido-2-oxo-ethyl)-(4-phenylphenyl)carbamoyl]butyl]amino]-4-phenyl-butanoate CAS Name: disodium 2-[[4-methyl-1-(N-(1-oxido-1-oxopropan-2-yl)-4-phenylanilino)-1-oxopentan-2-yl]amino]-4-phenylbutanoate IUPAC Name: disodium 2-[[4-methyl-1-(N-(1-oxido-1-oxopropan-2-yl)-4-phenylanilino)-1-oxopentan-2-yl]amino]-4-phenylbutanoate Traditional Name: disodium 2-[[1-[(2-keto-1-methyl-2-oxido-ethyl)-(4-phenylphenyl)carbamoyl]-3-methyl-butyl]amino]-4-phenyl-butyrate Formula: C31H34N2Na2O5 MolecularWeight: 560.5916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C)C(=O)[O-])NC(CCC3=CC=CC=C3)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)CC(C(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C)C(=O)[O-])NC(CCC3=CC=CC=C3)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C31H36N2O5.2Na/c1-21(2)20-28(32-27(31(37)38)19-14-23-10-6-4-7-11-23)29(34)33(22(3)30(35)36)26-17-15-25(16-18-26)24-12-8-5-9-13-24;;/h4-13,15-18,21-22,27-28,32H,14,19-20H2,1-3H3,(H,35,36)(H,37,38);;/q;2*+1/p-2