(2S)-3-methyl-2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]butanoic acid Openeye Name: (2S)-2-[(2-hydroxy-1-methyl-4-oxo-quinoline-3-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2-hydroxy-1-methyl-4-oxo-3-quinolinyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(2-hydroxy-1-methyl-4-oxoquinoline-3-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(2-hydroxy-4-keto-1-methyl-quinoline-3-carbonyl)amino]-3-methyl-butyric acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(N(C2=CC=CC=C2C1=O)C)O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=C(N(C2=CC=CC=C2C1=O)C)O

InChI

InChI=1S/C16H18N2O5/c1-8(2)12(16(22)23)17-14(20)11-13(19)9-6-4-5-7-10(9)18(3)15(11)21/h4-8,12,21H,1-3H3,(H,17,20)(H,22,23)/t12-/m0/s1