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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I3N3O5/c1-4(14(24)25)18-13(23)7-8(15)11(19-5(2)21)10(17)12(9(7)16)20-6(3)22/h4H,1-3H3,(H,18,23)(H,19,21)(H,20,22)(H,24,25)