(2S)-2-[(7-bromanyl-1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(7-bromanyl-1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(7-bromo-2-hydroxy-1-methyl-4-oxo-quinoline-3-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(7-bromo-2-hydroxy-1-methyl-4-oxo-3-quinolinyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(7-bromo-2-hydroxy-1-methyl-4-oxoquinoline-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(7-bromo-2-hydroxy-4-keto-1-methyl-quinoline-3-carbonyl)amino]propionic acid Formula: C14H13BrN2O5 MolecularWeight: 369.16742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O5/c1-6(14(21)22)16-12(19)10-11(18)8-4-3-7(15)5-9(8)17(2)13(10)20/h3-6,20H,1-2H3,(H,16,19)(H,21,22)/t6-/m0/s1