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

Systemtic Name: 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(3-cyano-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(3-cyanopropanoylamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C10H12N4O3 MolecularWeight: 236.22728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-2,4H2,(H,12,13)(H,14,15)(H,16,17)