3-[2-[[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]ethanoylamino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-[2-[[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]ethanoylamino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-[[2-[[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C24H21I6N5O8 MolecularWeight: 1268.87906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)