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

Systemtic Name: (2S)-2-[(3-cyanophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(3-cyanobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(3-cyanophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(3-cyanobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(3-cyanobenzoyl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C14H11N4O3- MolecularWeight: 283.26214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3/c15-6-9-2-1-3-10(4-9)13(19)18-12(14(20)21)5-11-7-16-8-17-11/h1-4,7-8,12H,5H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t12-/m0/s1