2-azanyl-3-phenyl-propanoic acid; bis(1H-imidazol-2-yl)methanone

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; bis(1H-imidazol-2-yl)methanone Openeye Name: 2-amino-3-phenyl-propanoic acid; bis(1H-imidazol-2-yl)methanone CAS Name: 2-amino-3-phenylpropanoic acid; bis(1H-imidazol-2-yl)methanone IUPAC Name: 2-amino-3-phenylpropanoic acid; bis(1H-imidazol-2-yl)methanone Traditional Name: 2-amino-3-phenyl-propionic acid; bis(1H-imidazol-2-yl)methanone Formula: C16H17N5O3 MolecularWeight: 327.33788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CN=C(N1)C(=O)C2=NC=CN2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CN=C(N1)C(=O)C2=NC=CN2

InChI

InChI=1S/C9H11NO2.C7H6N4O/c10-8(9(11)12)6-7-4-2-1-3-5-7;12-5(6-8-1-2-9-6)7-10-3-4-11-7/h1-5,8H,6,10H2,(H,11,12);1-4H,(H,8,9)(H,10,11)