3-(acetamidomethyl)-5-[[6-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(acetamidomethyl)-5-[[6-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-[[6-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-[[6-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-1,6-dioxohexyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-[[6-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-[[6-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-6-keto-hexanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C26H24I6N4O8 MolecularWeight: 1281.91758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)CNC(=O)C)I)C(=O)O)I)I

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCCC(=O)NC2=C(C(=C(C(=C2I)CNC(=O)C)I)C(=O)O)I)I

InChI

InChI=1S/C26H24I6N4O8/c1-9(37)33-7-11-17(27)15(25(41)42)21(31)23(19(11)29)35-13(39)5-3-4-6-14(40)36-24-20(30)12(8-34-10(2)38)18(28)16(22(24)32)26(43)44/h3-8H2,1-2H3,(H,33,37)(H,34,38)(H,35,39)(H,36,40)(H,41,42)(H,43,44)