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

Systemtic Name: sodium [[1-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-2-phenyl-ethyl]amino]-[(2-phenylethanoylamino)methyl]phosphinate Openeye Name: sodium [[1-[(1-carboxy-3-methyl-butyl)amino]-2-phenyl-ethyl]amino]-[[(2-phenylacetyl)amino]methyl]phosphinate CAS Name: sodium [[1-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-2-phenylethyl]amino]-[[(1-oxo-2-phenylethyl)amino]methyl]phosphinate IUPAC Name: sodium [[1-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-2-phenylethyl]amino]-[[(2-phenylacetyl)amino]methyl]phosphinate Traditional Name: sodium [[1-[(1-carboxy-3-methyl-butyl)amino]-2-phenyl-ethyl]amino]-[[(2-phenylacetyl)amino]methyl]phosphinate Formula: C23H31N3NaO5P MolecularWeight: 483.472871

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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)CC2=CC=CC=C2)[O-].[Na+]

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=CC=C1)NP(=O)(CNC(=O)CC2=CC=CC=C2)[O-].[Na+]

InChI

InChI=1S/C23H32N3O5P.Na/c1-17(2)13-20(23(28)29)25-21(14-18-9-5-3-6-10-18)26-32(30,31)16-24-22(27)15-19-11-7-4-8-12-19;/h3-12,17,20-21,25H,13-16H2,1-2H3,(H,24,27)(H,28,29)(H2,26,30,31);/q;+1/p-1