3-(4-methylphenyl)-3-[[1-[(2-methylsulfanylphenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(4-methylphenyl)-3-[[1-[(2-methylsulfanylphenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[2-hydroxy-1-[(2-methylsulfanylphenyl)methyl]-4-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[2-hydroxy-1-[[2-(methylthio)phenyl]methyl]-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[2-hydroxy-1-[(2-methylsulfanylphenyl)methyl]-4-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[2-hydroxy-4-keto-1-[2-(methylthio)benzyl]-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=CC=CC=C3SC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=CC=CC=C3SC)O

InChI

InChI=1S/C24H25N3O5S/c1-15-7-9-16(10-8-15)18(13-21(29)30)25-24(32)26-22-19(28)11-12-27(23(22)31)14-17-5-3-4-6-20(17)33-2/h3-12,18,31H,13-14H2,1-2H3,(H,29,30)(H2,25,26,32)