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

Systemtic Name: 3-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]propanoic acid CAS Name: 3-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]propanoic acid Traditional Name: 3-[(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(=O)NC1=C(C(=C(C(=C1I)C(=O)NCCC(=O)O)I)NC(=O)C)I

Isomeric SMILES

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

InChI

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