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

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(4-iodophenyl)carbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[(4-iodobenzoyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[(4-iodophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(4-iodobenzoyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[(4-iodobenzoyl)amino]propionic acid Formula: C13H12IN3O3 MolecularWeight: 385.15715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12IN3O3/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)