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

Systemtic Name: 3-[[4-azanyl-5-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]-5-oxidanylidene-pentanoyl]amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-[[5-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]-4-amino-5-oxo-pentanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 3-[[5-[3-[acetyl(methyl)amino]-2,4,6-triiodophenyl]-4-amino-1,5-dioxopentyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid IUPAC Name: 3-[[5-[3-[acetyl(methyl)amino]-2,4,6-triiodophenyl]-4-amino-5-oxopentanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-[[5-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenyl]-4-amino-5-keto-pentanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C23H20I6N4O6 MolecularWeight: 1209.85492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20I6N4O6/c1-7(34)33(3)20-9(25)6-8(24)12(18(20)29)21(36)10(30)4-5-11(35)32-19-16(27)13(22(37)31-2)15(26)14(17(19)28)23(38)39/h6,10H,4-5,30H2,1-3H3,(H,31,37)(H,32,35)(H,38,39)