3-[[3-(aminomethyl)-4-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]-4-oxidanylidene-butanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-[[3-(aminomethyl)-4-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]-4-oxidanylidene-butanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[[4-[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-3-(aminomethyl)-4-oxo-butanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[4-[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-3-(aminomethyl)-1,4-dioxobutyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[[4-[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-3-(aminomethyl)-4-oxobutanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[[4-[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-3-(aminomethyl)-4-keto-butanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C23H20I6N4O6 MolecularWeight: 1209.85492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)C(CC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)CN)I

Isomeric SMILES

CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NC)I)C(=O)C(CC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)CN)I

InChI

InChI=1S/C23H20I6N4O6/c1-7(34)33(3)20-17(28)13(15(26)14(18(20)29)22(37)31-2)21(36)8(6-30)4-11(35)32-19-10(25)5-9(24)12(16(19)27)23(38)39/h5,8H,4,6,30H2,1-3H3,(H,31,37)(H,32,35)(H,38,39)