sodium [[1-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-2-phenyl-ethyl]amino]-[(3-phenylpropanoylamino)methyl]phosphinate

Systemtic Name: sodium [[1-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-2-phenyl-ethyl]amino]-[(3-phenylpropanoylamino)methyl]phosphinate Openeye Name: sodium [[1-[(1-carboxy-3-methyl-butyl)amino]-2-phenyl-ethyl]amino]-[(3-phenylpropanoylamino)methyl]phosphinate CAS Name: sodium [[1-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-2-phenylethyl]amino]-[[(1-oxo-3-phenylpropyl)amino]methyl]phosphinate IUPAC Name: sodium [[1-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-2-phenylethyl]amino]-[(3-phenylpropanoylamino)methyl]phosphinate Traditional Name: sodium [[1-[(1-carboxy-3-methyl-butyl)amino]-2-phenyl-ethyl]amino]-[(hydrocinnamoylamino)methyl]phosphinate Formula: C24H33N3NaO5P MolecularWeight: 497.499451

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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)CCC2=CC=CC=C2)[O-].[Na+]

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=CC=C1)NP(=O)(CNC(=O)CCC2=CC=CC=C2)[O-].[Na+]

InChI

InChI=1S/C24H34N3O5P.Na/c1-18(2)15-21(24(29)30)26-22(16-20-11-7-4-8-12-20)27-33(31,32)17-25-23(28)14-13-19-9-5-3-6-10-19;/h3-12,18,21-22,26H,13-17H2,1-2H3,(H,25,28)(H,29,30)(H2,27,31,32);/q;+1/p-1