3-[[7-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]-7-oxidanylidene-heptanoyl]amino]-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[[7-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]-7-oxidanylidene-heptanoyl]amino]-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoic acid Openeye Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid CAS Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]anilino]-1,7-dioxoheptyl]amino]-2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid IUPAC Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxoheptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid Traditional Name: 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-ketopyrrolidino)methyl]anilino]-7-keto-heptanoyl]amino]-2,4,6-triiodo-5-[(2-ketopyrrolidino)methyl]benzoic acid Formula: C31H30I6N4O8 MolecularWeight: 1348.01872

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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)CCCCCC(=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)CCCCCC(=O)NC3=C(C(=C(C(=C3I)CN4CCCC4=O)I)C(=O)O)I)I

InChI

InChI=1S/C31H30I6N4O8/c32-22-14(12-40-10-4-8-18(40)44)24(34)28(26(36)20(22)30(46)47)38-16(42)6-2-1-3-7-17(43)39-29-25(35)15(13-41-11-5-9-19(41)45)23(33)21(27(29)37)31(48)49/h1-13H2,(H,38,42)(H,39,43)(H,46,47)(H,48,49)