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

Systemtic Name: 3-(acetamidomethyl)-5-[3-[2-[2-[3-[[3-(acetamidomethyl)-5-carboxy-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-[3-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-3-oxo-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-[[3-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-[3-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-[3-[2-[2-[3-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-3-keto-propoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-benzoic acid Formula: C30H32I6N4O11 MolecularWeight: 1386.0221

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

InChI

InChI=1S/C30H32I6N4O11/c1-13(41)37-11-15-21(31)19(29(45)46)25(35)27(23(15)33)39-17(43)3-5-49-7-9-51-10-8-50-6-4-18(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)