2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodo-benzoyl]-methyl-amino]acetic acid CAS Name: 2-[[[3,5-bis[ethyl(1-oxopropyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]-methylamino]acetic acid Traditional Name: 2-[[3,5-bis[ethyl(propionyl)amino]-2,4,6-triiodo-benzoyl]-methyl-amino]acetic acid Formula: C20H26I3N3O5 MolecularWeight: 769.15095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26I3N3O5/c1-6-11(27)25(8-3)18-15(21)14(20(31)24(5)10-13(29)30)16(22)19(17(18)23)26(9-4)12(28)7-2/h6-10H2,1-5H3,(H,29,30)