4-[[(2R)-3-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2R)-3-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1R)-2-hydroxy-1-[(8-methoxy-2-methyl-4-quinolyl)sulfanylmethyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R)-1-hydroxy-3-[(8-methoxy-2-methyl-4-quinolinyl)thio]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R)-1-hydroxy-3-(8-methoxy-2-methylquinolin-4-yl)sulfanyl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1R)-2-hydroxy-2-keto-1-[[(8-methoxy-2-methyl-4-quinolyl)thio]methyl]ethyl]amino]-4-keto-butyric acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC)C(=C1)SC[C@@H](C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H20N2O6S/c1-10-8-14(11-4-3-5-13(26-2)17(11)19-10)27-9-12(18(24)25)20-15(21)6-7-16(22)23/h3-5,8,12H,6-7,9H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)/t12-/m0/s1