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

Systemtic Name: 2-[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[5-methoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-1-pyridinyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyridin-1-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[4-keto-5-methoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-1-pyridyl]acetyl]amino]-3-methyl-butyric acid Formula: C18H24N4O5S MolecularWeight: 408.47196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C=C(C(=O)C=C1CSC2=NC=CN2C)OC

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CN1C=C(C(=O)C=C1CSC2=NC=CN2C)OC

InChI

InChI=1S/C18H24N4O5S/c1-11(2)16(17(25)26)20-15(24)9-22-8-14(27-4)13(23)7-12(22)10-28-18-19-5-6-21(18)3/h5-8,11,16H,9-10H2,1-4H3,(H,20,24)(H,25,26)