2-(2-cyanoethanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid

Systemtic Name: 2-(2-cyanoethanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid Openeye Name: 2-[(2-cyanoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoic acid CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-3-(3-methyl-4-imidazolyl)propanoic acid IUPAC Name: 2-[(2-cyanoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoic acid Traditional Name: 2-[(2-cyanoacetyl)amino]-3-(3-methylimidazol-4-yl)propionic acid Formula: C10H12N4O3 MolecularWeight: 236.22728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)O)NC(=O)CC#N

Isomeric SMILES

CN1C=NC=C1CC(C(=O)O)NC(=O)CC#N

InChI

InChI=1S/C10H12N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2,4H2,1H3,(H,13,15)(H,16,17)