3-acetamido-5-[2-azanylethanoyl-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonyl-amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-acetamido-5-[2-azanylethanoyl-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonyl-amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-(2-aminoacetyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]-(2-amino-1-oxoethyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-(2-aminoacetyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-glycyl-amino]-2,4,6-triiodo-benzoic acid Formula: C23H19I6N5O7 MolecularWeight: 1238.85308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19I6N5O7/c1-6(35)32-18-13(25)11(23(40)41)16(28)20(17(18)29)34(8(37)5-30)22(39)10-12(24)9(21(38)31-3)14(26)19(15(10)27)33(4)7(2)36/h5,30H2,1-4H3,(H,31,38)(H,32,35)(H,40,41)