3-[[8-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[[8-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]-8-oxidanylidene-octanoyl]amino]-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoic acid Openeye Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-8-oxo-octanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid CAS Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]anilino]-1,8-dioxooctyl]amino]-2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid IUPAC Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid Traditional Name: 3-[[8-[3-carboxy-2,4,6-triiodo-5-[(2-ketopyrrolidino)methyl]anilino]-8-keto-octanoyl]amino]-2,4,6-triiodo-5-[(2-ketopyrrolidino)methyl]benzoic acid Formula: C32H32I6N4O8 MolecularWeight: 1362.0453

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H32I6N4O8/c33-23-15(13-41-11-5-9-19(41)45)25(35)29(27(37)21(23)31(47)48)39-17(43)7-3-1-2-4-8-18(44)40-30-26(36)16(14-42-12-6-10-20(42)46)24(34)22(28(30)38)32(49)50/h1-14H2,(H,39,43)(H,40,44)(H,47,48)(H,49,50)