3-(2-azanylethanoylamino)-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(2-azanylethanoylamino)-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[(2-aminoacetyl)amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-[(2-amino-1-oxoethyl)amino]-5-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[(2-aminoacetyl)amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-(glycylamino)-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C12H12I3N3O5 MolecularWeight: 658.95419

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CN)I)C(=O)O)I

Isomeric SMILES

C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CN)I)C(=O)O)I

InChI

InChI=1S/C12H12I3N3O5/c13-7-5(11(21)17-1-2-19)8(14)10(18-4(20)3-16)9(15)6(7)12(22)23/h19H,1-3,16H2,(H,17,21)(H,18,20)(H,22,23)