(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 1-oxidanylideneisoquinoline-2-carboxylic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 1-oxidanylideneisoquinoline-2-carboxylic acid Openeye Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 1-oxoisoquinoline-2-carboxylic acid CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 1-oxo-2-isoquinolinecarboxylic acid IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; 1-oxoisoquinoline-2-carboxylic acid Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; 1-ketoisoquinoline-2-carboxylic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)C(=O)O.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)C(=O)O.C1=C(NC=N1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C10H7NO3.C6H9N3O2/c12-9-8-4-2-1-3-7(8)5-6-11(9)10(13)14;7-5(6(10)11)1-4-2-8-3-9-4/h1-6H,(H,13,14);2-3,5H,1,7H2,(H,8,9)(H,10,11)/t;5-/m.0/s1