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

Systemtic Name: 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]pentanedioic acid CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]pentanedioic acid Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]glutaric acid Formula: C16H16I3N3O7 MolecularWeight: 743.02755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16I3N3O7/c1-5(23)20-13-10(17)9(11(18)14(12(13)19)21-6(2)24)15(27)22-7(16(28)29)3-4-8(25)26/h7H,3-4H2,1-2H3,(H,20,23)(H,21,24)(H,22,27)(H,25,26)(H,28,29)