(2S)-3-(1H-imidazol-5-yl)-2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[oxo-(6-oxo-1H-pyridin-3-yl)methyl]amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(6-keto-1H-pyridine-3-carbonyl)amino]propionate Formula: C12H11N4O4- MolecularWeight: 275.24014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)NC=C1C(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=CC(=O)NC=C1C(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C12H12N4O4/c17-10-2-1-7(4-14-10)11(18)16-9(12(19)20)3-8-5-13-6-15-8/h1-2,4-6,9H,3H2,(H,13,15)(H,14,17)(H,16,18)(H,19,20)/p-1/t9-/m0/s1