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

Systemtic Name: 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-3-hydroxy-propionic acid Formula: C14H14I3N3O6 MolecularWeight: 700.99087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I3N3O6/c1-4(22)18-11-8(15)7(13(24)20-6(3-21)14(25)26)9(16)12(10(11)17)19-5(2)23/h6,21H,3H2,1-2H3,(H,18,22)(H,19,23)(H,20,24)(H,25,26)