3-(acetamidomethyl)-5-[[10-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-10-oxidanylidene-decanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(acetamidomethyl)-5-[[10-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-10-oxidanylidene-decanoyl]amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-[[10-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-10-oxo-decanoyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-[[10-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-1,10-dioxodecyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-[[10-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-[[10-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-10-keto-decanoyl]amino]-2,4,6-triiodo-benzoic acid Formula: C30H32I6N4O8 MolecularWeight: 1338.0239

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)CCCCCCCCC(=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)CCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)CNC(=O)C)I)C(=O)O)I)I

InChI

InChI=1S/C30H32I6N4O8/c1-13(41)37-11-15-21(31)19(29(45)46)25(35)27(23(15)33)39-17(43)9-7-5-3-4-6-8-10-18(44)40-28-24(34)16(12-38-14(2)42)22(32)20(26(28)36)30(47)48/h3-12H2,1-2H3,(H,37,41)(H,38,42)(H,39,43)(H,40,44)(H,45,46)(H,47,48)