3-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 3-[[3-acetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 3-[(3-acetamido-2,4,6-triiodo-benzoyl)amino]-2-methyl-propanoic acid CAS Name: 3-[[(3-acetamido-2,4,6-triiodophenyl)-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 3-[(3-acetamido-2,4,6-triiodobenzoyl)amino]-2-methylpropanoic acid Traditional Name: 3-[(3-acetamido-2,4,6-triiodo-benzoyl)amino]-2-methyl-propionic acid Formula: C13H13I3N2O4 MolecularWeight: 641.96673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

Isomeric SMILES

CC(CNC(=O)C1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O

InChI

InChI=1S/C13H13I3N2O4/c1-5(13(21)22)4-17-12(20)9-7(14)3-8(15)11(10(9)16)18-6(2)19/h3,5H,4H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)