(2S)-2-[(4-bromophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-bromophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[(4-bromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(4-bromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C13H12BrN3O3 MolecularWeight: 338.15668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC2=CN=CN2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CC2=CN=CN2)C(=O)O)Br

InChI

InChI=1S/C13H12BrN3O3/c14-9-3-1-8(2-4-9)12(18)17-11(13(19)20)5-10-6-15-7-16-10/h1-4,6-7,11H,5H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1