2-[carboxy-[2-(1H-imidazol-5-yl)ethyl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[carboxy-[2-(1H-imidazol-5-yl)ethyl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[carboxy-[2-(1H-imidazol-5-yl)ethyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[carboxy-[2-(1H-imidazol-5-yl)ethyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[carboxy-[2-(1H-imidazol-5-yl)ethyl]amino]-4-phenylbutanoic acid Traditional Name: 2-[carboxy-[2-(1H-imidazol-5-yl)ethyl]amino]-4-phenyl-butyric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)N(CCC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)N(CCC2=CN=CN2)C(=O)O

InChI

InChI=1S/C16H19N3O4/c20-15(21)14(7-6-12-4-2-1-3-5-12)19(16(22)23)9-8-13-10-17-11-18-13/h1-5,10-11,14H,6-9H2,(H,17,18)(H,20,21)(H,22,23)