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

Systemtic Name: 2-[2-[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-1-pyridyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[5-methoxy-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-1-pyridinyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyridin-1-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[4-keto-5-methoxy-2-[[(4-methylpyrimidin-2-yl)thio]methyl]-1-pyridyl]acetyl]amino]-3-methyl-butyric acid Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5S/c1-11(2)17(18(26)27)22-16(25)9-23-8-15(28-4)14(24)7-13(23)10-29-19-20-6-5-12(3)21-19/h5-8,11,17H,9-10H2,1-4H3,(H,22,25)(H,26,27)