sodium benzamidomethyl-[[1-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-2-phenyl-ethyl]amino]phosphinate

Systemtic Name: sodium benzamidomethyl-[[1-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-2-phenyl-ethyl]amino]phosphinate Openeye Name: sodium benzamidomethyl-[[1-[(1-carboxy-3-methyl-butyl)amino]-2-phenyl-ethyl]amino]phosphinate CAS Name: sodium benzamidomethyl-[[1-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-2-phenylethyl]amino]phosphinate IUPAC Name: sodium benzamidomethyl-[[1-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-2-phenylethyl]amino]phosphinate Traditional Name: sodium benzamidomethyl-[[1-[(1-carboxy-3-methyl-butyl)amino]-2-phenyl-ethyl]amino]phosphinate Formula: C22H29N3NaO5P MolecularWeight: 469.446291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CC=CC=C1)NP(=O)(CNC(=O)C2=CC=CC=C2)[O-].[Na+]

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=CC=C1)NP(=O)(CNC(=O)C2=CC=CC=C2)[O-].[Na+]

InChI

InChI=1S/C22H30N3O5P.Na/c1-16(2)13-19(22(27)28)24-20(14-17-9-5-3-6-10-17)25-31(29,30)15-23-21(26)18-11-7-4-8-12-18;/h3-12,16,19-20,24H,13-15H2,1-2H3,(H,23,26)(H,27,28)(H2,25,29,30);/q;+1/p-1