2-[2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[5-methoxy-4-oxo-2-(p-tolylsulfanylmethyl)-1-pyridyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[5-methoxy-2-[[(4-methylphenyl)thio]methyl]-4-oxo-1-pyridinyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxopyridin-1-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[4-keto-5-methoxy-2-[(p-tolylthio)methyl]-1-pyridyl]acetyl]amino]-3-methyl-butyric acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)C(=CN2CC(=O)NC(C(C)C)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)C(=CN2CC(=O)NC(C(C)C)C(=O)O)OC

InChI

InChI=1S/C21H26N2O5S/c1-13(2)20(21(26)27)22-19(25)11-23-10-18(28-4)17(24)9-15(23)12-29-16-7-5-14(3)6-8-16/h5-10,13,20H,11-12H2,1-4H3,(H,22,25)(H,26,27)