sodium 6-[[(3R)-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]amino]-5-oxidanylidene-6-(4-phenylphenyl)hexanoate

Systemtic Name: sodium 6-[[(3R)-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]amino]-5-oxidanylidene-6-(4-phenylphenyl)hexanoate Openeye Name: sodium 6-[[(3R)-4-hydroxy-3-methyl-4-oxo-butyl]amino]-5-oxo-6-(4-phenylphenyl)hexanoate CAS Name: sodium 6-[[(3R)-4-hydroxy-3-methyl-4-oxobutyl]amino]-5-oxo-6-(4-phenylphenyl)hexanoate IUPAC Name: sodium 6-[[(3R)-4-hydroxy-3-methyl-4-oxobutyl]amino]-5-oxo-6-(4-phenylphenyl)hexanoate Traditional Name: sodium 6-[[(3R)-4-hydroxy-4-keto-3-methyl-butyl]amino]-5-keto-6-(4-phenylphenyl)hexanoate Formula: C23H26NNaO5 MolecularWeight: 419.44601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CCNC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)CCCC(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C23H27NO5.Na/c1-16(23(28)29)14-15-24-22(20(25)8-5-9-21(26)27)19-12-10-18(11-13-19)17-6-3-2-4-7-17;/h2-4,6-7,10-13,16,22,24H,5,8-9,14-15H2,1H3,(H,26,27)(H,28,29);/q;+1/p-1/t16-,22?;/m1./s1