3-(acetamidomethyl)-5-[[9-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-9-oxidanylidene-nonanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(acetamidomethyl)-5-[[9-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-9-oxidanylidene-nonanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-[[9-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-9-oxo-nonanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-[[9-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-1,9-dioxononyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-[[9-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-9-oxononanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-[[9-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-9-keto-nonanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C29H30I6N4O8 MolecularWeight: 1323.99732

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30I6N4O8/c1-12(40)36-10-14-20(30)18(28(44)45)24(34)26(22(14)32)38-16(42)8-6-4-3-5-7-9-17(43)39-27-23(33)15(11-37-13(2)41)21(31)19(25(27)35)29(46)47/h3-11H2,1-2H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)(H,44,45)(H,46,47)