(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylprop-2-ynoylamino)propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-phenylprop-2-ynoylamino)propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-phenylprop-2-ynoylamino)propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-phenylprop-2-ynoylamino)propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(3-phenylpropioloyl)amino]propionic acid Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3/c19-14(7-6-11-4-2-1-3-5-11)18-13(15(20)21)8-12-9-16-10-17-12/h1-5,9-10,13H,8H2,(H,16,17)(H,18,19)(H,20,21)/t13-/m0/s1