(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(1-oxo-3-phenylpropyl)amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoate Traditional Name: (2S)-2-(hydrocinnamoylamino)-3-(1H-imidazol-5-yl)propionate Formula: C15H16N3O3- MolecularWeight: 286.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3/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,6-8H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t13-/m0/s1