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

Systemtic Name: 5-azanyl-2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]-2-ethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)-ethyl-amino]-2-ethyl-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]-ethylamino]-2-ethyl-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)-ethylamino]-2-ethyl-5-oxopentanoic acid Traditional Name: 5-amino-2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)-ethyl-amino]-2-ethyl-5-keto-valeric acid Formula: C20H25I3N4O6 MolecularWeight: 798.14911

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=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(CCC(=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/C20H25I3N4O6/c1-5-20(19(32)33,8-7-11(24)30)27(6-2)18(31)12-13(21)16(25-9(3)28)15(23)17(14(12)22)26-10(4)29/h5-8H2,1-4H3,(H2,24,30)(H,25,28)(H,26,29)(H,32,33)