(2S)-2-azanyl-3-(8-oxidanyl-7-oxidanylidene-1H-quinolin-5-yl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(8-oxidanyl-7-oxidanylidene-1H-quinolin-5-yl)propanoic acid Openeye Name: (2S)-2-amino-3-(8-hydroxy-7-oxo-1H-quinolin-5-yl)propanoic acid CAS Name: (2S)-2-amino-3-(8-hydroxy-7-oxo-1H-quinolin-5-yl)propanoic acid IUPAC Name: (2S)-2-amino-3-(8-hydroxy-7-oxo-1H-quinolin-5-yl)propanoic acid Traditional Name: (2S)-2-amino-3-(8-hydroxy-7-keto-1H-quinolin-5-yl)propionic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC2=C(C(=O)C=C(C2=C1)CC(C(=O)O)N)O

Isomeric SMILES

C1=CNC2=C(C(=O)C=C(C2=C1)C[C@@H](C(=O)O)N)O

InChI

InChI=1S/C12H12N2O4/c13-8(12(17)18)4-6-5-9(15)11(16)10-7(6)2-1-3-14-10/h1-3,5,8,14,16H,4,13H2,(H,17,18)/t8-/m0/s1