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

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(6-oxidanylidenepyran-3-yl)carbonylamino]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(6-oxopyran-3-carbonyl)amino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[oxo-(6-oxo-3-pyranyl)methyl]amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(6-oxopyran-3-carbonyl)amino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(6-ketopyran-3-carbonyl)amino]propionate Formula: C12H10N3O5- MolecularWeight: 276.2249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c16-10-2-1-7(5-20-10)11(17)15-9(12(18)19)3-8-4-13-6-14-8/h1-2,4-6,9H,3H2,(H,13,14)(H,15,17)(H,18,19)/p-1/t9-/m0/s1