sodium 4-methylsulfanyl-2-[[4-(2-oxidanyl-2-pyridin-3-yl-ethyl)-2-phenyl-phenyl]carbonylamino]butanoate

Systemtic Name: sodium 4-methylsulfanyl-2-[[4-(2-oxidanyl-2-pyridin-3-yl-ethyl)-2-phenyl-phenyl]carbonylamino]butanoate Openeye Name: sodium 2-[[4-[2-hydroxy-2-(3-pyridyl)ethyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: sodium 2-[[[4-[2-hydroxy-2-(3-pyridinyl)ethyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: sodium 2-[[4-(2-hydroxy-2-pyridin-3-ylethyl)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: sodium 2-[[4-[2-hydroxy-2-(3-pyridyl)ethyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C25H25N2NaO4S MolecularWeight: 472.53177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S.Na/c1-32-13-11-22(25(30)31)27-24(29)20-10-9-17(14-21(20)18-6-3-2-4-7-18)15-23(28)19-8-5-12-26-16-19;/h2-10,12,14,16,22-23,28H,11,13,15H2,1H3,(H,27,29)(H,30,31);/q;+1/p-1