2-(2-cyanoethanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-(2-cyanoethanoylamino)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(2-cyanoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(2-cyanoacetyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C9H10N4O3 MolecularWeight: 222.2007

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)NC(=O)CC#N

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)O)NC(=O)CC#N

InChI

InChI=1S/C9H10N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1,3H2,(H,11,12)(H,13,14)(H,15,16)