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

Systemtic Name: 3-[[3-acetamido-5-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[(3-acetamido-5-carbamoyl-2,4,6-triiodo-benzoyl)amino]propanoic acid CAS Name: 3-[[(3-acetamido-5-carbamoyl-2,4,6-triiodophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3-acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)amino]propanoic acid Traditional Name: 3-[(3-acetamido-5-carbamoyl-2,4,6-triiodo-benzoyl)amino]propionic acid Formula: C13H12I3N3O5 MolecularWeight: 670.96489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12I3N3O5/c1-4(20)19-11-9(15)6(12(17)23)8(14)7(10(11)16)13(24)18-3-2-5(21)22/h2-3H2,1H3,(H2,17,23)(H,18,24)(H,19,20)(H,21,22)