sodium 4-[[3-methyl-4-oxidanyl-4-oxidanylidene-3-[(4-phenylphenyl)methyl]butyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[[3-methyl-4-oxidanyl-4-oxidanylidene-3-[(4-phenylphenyl)methyl]butyl]amino]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[[4-hydroxy-3-methyl-4-oxo-3-[(4-phenylphenyl)methyl]butyl]amino]-4-oxo-butanoate CAS Name: sodium 4-[[4-hydroxy-3-methyl-4-oxo-3-[(4-phenylphenyl)methyl]butyl]amino]-4-oxobutanoate IUPAC Name: sodium 4-[[4-hydroxy-3-methyl-4-oxo-3-[(4-phenylphenyl)methyl]butyl]amino]-4-oxobutanoate Traditional Name: sodium 4-[[4-hydroxy-4-keto-3-methyl-3-(4-phenylbenzyl)butyl]amino]-4-keto-butyrate Formula: C22H24NNaO5 MolecularWeight: 405.41943

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)CCC(=O)[O-])(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O.[Na+]

Isomeric SMILES

CC(CCNC(=O)CCC(=O)[O-])(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O.[Na+]

InChI

InChI=1S/C22H25NO5.Na/c1-22(21(27)28,13-14-23-19(24)11-12-20(25)26)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17;/h2-10H,11-15H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+1/p-1