3-acetamido-5-[(2-azanylethanoylamino)methyl]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-acetamido-5-[(2-azanylethanoylamino)methyl]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[[(2-aminoacetyl)amino]methyl]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[[(2-amino-1-oxoethyl)amino]methyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[[(2-aminoacetyl)amino]methyl]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[(glycylamino)methyl]-2,4,6-triiodo-benzoic acid Formula: C12H12I3N3O4 MolecularWeight: 642.95479

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)CNC(=O)CN)I)C(=O)O)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)CNC(=O)CN)I)C(=O)O)I

InChI

InChI=1S/C12H12I3N3O4/c1-4(19)18-11-9(14)5(3-17-6(20)2-16)8(13)7(10(11)15)12(21)22/h2-3,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)