3-[[4-azanyl-5-[3-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)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)-5-(methylcarbamoyl)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-5-(methylcarbamoyl)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-triiodo-5-(methylcarbamoyl)phenyl]-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-triiodo-5-(methylcarbamoyl)phenyl]-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-5-(methylcarbamoyl)phenyl]-4-amino-5-keto-pentanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C25H23I6N5O7 MolecularWeight: 1266.90624

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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(CCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)N)I

Isomeric SMILES

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

InChI

InChI=1S/C25H23I6N5O7/c1-7(37)36(4)21-18(30)10(14(26)12(19(21)31)24(41)34-3)22(39)8(32)5-6-9(38)35-20-16(28)11(23(40)33-2)15(27)13(17(20)29)25(42)43/h8H,5-6,32H2,1-4H3,(H,33,40)(H,34,41)(H,35,38)(H,42,43)