3-[[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid CAS Name: 3-[[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propionic acid Formula: C14H14I3N3O5 MolecularWeight: 684.99147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCCC(=O)O)I)C(=O)NC)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCCC(=O)O)I)C(=O)NC)I

InChI

InChI=1S/C14H14I3N3O5/c1-5(21)20-12-10(16)7(13(24)18-2)9(15)8(11(12)17)14(25)19-4-3-6(22)23/h3-4H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)