4-azanyl-2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]-2-ethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]-2-ethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)-ethyl-amino]-2-ethyl-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]-ethylamino]-2-ethyl-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)-ethylamino]-2-ethyl-4-oxobutanoic acid Traditional Name: 4-amino-2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)-ethyl-amino]-2-ethyl-4-keto-butyric acid Formula: C19H23I3N4O6 MolecularWeight: 784.12253

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)N)(C(=O)O)N(CC)C(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCC(CC(=O)N)(C(=O)O)N(CC)C(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C19H23I3N4O6/c1-5-19(18(31)32,7-10(23)29)26(6-2)17(30)11-12(20)15(24-8(3)27)14(22)16(13(11)21)25-9(4)28/h5-7H2,1-4H3,(H2,23,29)(H,24,27)(H,25,28)(H,31,32)