3-(acetamidomethyl)-5-[[8-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(acetamidomethyl)-5-[[8-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-[[8-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-8-oxo-octanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-[[8-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-1,8-dioxooctyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-[[8-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-[[8-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-8-keto-octanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C28H28I6N4O8 MolecularWeight: 1309.97074

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28I6N4O8/c1-11(39)35-9-13-19(29)17(27(43)44)23(33)25(21(13)31)37-15(41)7-5-3-4-6-8-16(42)38-26-22(32)14(10-36-12(2)40)20(30)18(24(26)34)28(45)46/h3-10H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)(H,43,44)(H,45,46)