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

Systemtic Name: 3-acetamido-5-(2-azanylethanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[(2-aminoacetyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[(2-amino-1-oxoethyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[(2-aminoacetyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-(glycylamino)-2,4,6-triiodo-benzoic acid Formula: C11H10I3N3O4 MolecularWeight: 628.92821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10I3N3O4/c1-3(18)16-9-6(12)5(11(20)21)7(13)10(8(9)14)17-4(19)2-15/h2,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)