sodium 4-methylsulfanyl-2-[[4-[oxidanyl(pyridin-4-yl)methyl]-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: sodium 4-methylsulfanyl-2-[[4-[oxidanyl(pyridin-4-yl)methyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: sodium 2-[[4-[hydroxy(4-pyridyl)methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: sodium 2-[[[4-[hydroxy(pyridin-4-yl)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: sodium 2-[[4-[hydroxy(pyridin-4-yl)methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: sodium 2-[[4-[hydroxy(4-pyridyl)methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C24H24N2NaO4S+ MolecularWeight: 459.51313

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(C2=CC=NC=C2)O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C(C2=CC=NC=C2)O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C24H24N2O4S.Na/c1-31-14-11-21(24(29)30)26-23(28)19-8-7-18(22(27)17-9-12-25-13-10-17)15-20(19)16-5-3-2-4-6-16;/h2-10,12-13,15,21-22,27H,11,14H2,1H3,(H,26,28)(H,29,30);/q;+1