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

Systemtic Name: 2-[2-[5-methoxy-4-oxidanylidene-2-(pyrimidin-2-ylsulfanylmethyl)pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[5-methoxy-4-oxo-2-[(2-pyrimidinylthio)methyl]-1-pyridinyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)pyridin-1-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[4-keto-5-methoxy-2-[(2-pyrimidylthio)methyl]-1-pyridyl]acetyl]amino]-3-methyl-butyric acid Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C=C(C(=O)C=C1CSC2=NC=CC=N2)OC

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CN1C=C(C(=O)C=C1CSC2=NC=CC=N2)OC

InChI

InChI=1S/C18H22N4O5S/c1-11(2)16(17(25)26)21-15(24)9-22-8-14(27-3)13(23)7-12(22)10-28-18-19-5-4-6-20-18/h4-8,11,16H,9-10H2,1-3H3,(H,21,24)(H,25,26)