2-azanylethanoyl 3-[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonyl-2,4,6-tris(iodanyl)-5-(methylamino)benzoate

Systemtic Name: 2-azanylethanoyl 3-[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonyl-2,4,6-tris(iodanyl)-5-(methylamino)benzoate Openeye Name: (2-aminoacetyl) 3-[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-2,4,6-triiodo-5-(methylamino)benzoate CAS Name: 3-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]-2,4,6-triiodo-5-(methylamino)benzoic acid (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 3-[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-2,4,6-triiodo-5-(methylamino)benzoate Traditional Name: 3-[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-2,4,6-triiodo-5-(methylamino)benzoic acid glycyl ester Formula: C21H16I6N4O6 MolecularWeight: 1181.80176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)C2=C(C(=C(C(=C2I)NC)I)C(=O)OC(=O)CN)I)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)C2=C(C(=C(C(=C2I)NC)I)C(=O)OC(=O)CN)I)I

InChI

InChI=1S/C21H16I6N4O6/c1-5(32)31-18-14(25)7(11(22)9(15(18)26)20(35)30-3)19(34)8-12(23)10(21(36)37-6(33)4-28)16(27)17(29-2)13(8)24/h29H,4,28H2,1-3H3,(H,30,35)(H,31,32)