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

Systemtic Name: 4-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]butanoic acid CAS Name: 4-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]butanoic acid Traditional Name: 4-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]butyric acid Formula: C15H16I3N3O5 MolecularWeight: 699.01805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16I3N3O5/c1-6(22)20-13-10(16)9(15(26)19-5-3-4-8(24)25)11(17)14(12(13)18)21-7(2)23/h3-5H2,1-2H3,(H,19,26)(H,20,22)(H,21,23)(H,24,25)