3-[[9-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]-9-oxidanylidene-nonanoyl]amino]-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[[9-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]-9-oxidanylidene-nonanoyl]amino]-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoic acid Openeye Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxo-nonanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid CAS Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]anilino]-1,9-dioxononyl]amino]-2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid IUPAC Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxononanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid Traditional Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-ketopyrrolidino)methyl]anilino]-9-keto-nonanoyl]amino]-2,4,6-triiodo-5-[(2-ketopyrrolidino)methyl]benzoic acid Formula: C33H34I6N4O8 MolecularWeight: 1376.07188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)C(=O)O)I)NC(=O)CCCCCCCC(=O)NC3=C(C(=C(C(=C3I)CN4CCCC4=O)I)C(=O)O)I)I

Isomeric SMILES

C1CC(=O)N(C1)CC2=C(C(=C(C(=C2I)C(=O)O)I)NC(=O)CCCCCCCC(=O)NC3=C(C(=C(C(=C3I)CN4CCCC4=O)I)C(=O)O)I)I

InChI

InChI=1S/C33H34I6N4O8/c34-24-16(14-42-12-6-10-20(42)46)26(36)30(28(38)22(24)32(48)49)40-18(44)8-4-2-1-3-5-9-19(45)41-31-27(37)17(15-43-13-7-11-21(43)47)25(35)23(29(31)39)33(50)51/h1-15H2,(H,40,44)(H,41,45)(H,48,49)(H,50,51)