sodium 2-[[4-[[(4-methoxypyridin-3-yl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: sodium 2-[[4-[[(4-methoxypyridin-3-yl)amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: sodium 2-[[4-[[(4-methoxy-3-pyridyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: sodium 2-[[[4-[[(4-methoxy-3-pyridinyl)amino]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: sodium 2-[[4-[[(4-methoxypyridin-3-yl)amino]methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: sodium 2-[[4-[[(4-methoxy-3-pyridyl)amino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C25H26N3NaO4S MolecularWeight: 487.54641

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=NC=C1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)[O-])C3=CC=CC=C3.[Na+]

Isomeric SMILES

COC1=C(C=NC=C1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)[O-])C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H27N3O4S.Na/c1-32-23-10-12-26-16-22(23)27-15-17-8-9-19(20(14-17)18-6-4-3-5-7-18)24(29)28-21(25(30)31)11-13-33-2;/h3-10,12,14,16,21,27H,11,13,15H2,1-2H3,(H,28,29)(H,30,31);/q;+1/p-1