3-(acetamidomethyl)-5-[[7-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-7-oxidanylidene-heptanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(acetamidomethyl)-5-[[7-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-7-oxidanylidene-heptanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-1,7-dioxoheptyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-[[7-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-7-keto-heptanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C27H26I6N4O8 MolecularWeight: 1295.94416

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26I6N4O8/c1-10(38)34-8-12-18(28)16(26(42)43)22(32)24(20(12)30)36-14(40)6-4-3-5-7-15(41)37-25-21(31)13(9-35-11(2)39)19(29)17(23(25)33)27(44)45/h3-9H2,1-2H3,(H,34,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)(H,44,45)