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

Systemtic Name: 3-[[6-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]amino]-6-oxidanylidene-hexanoyl]amino]-2,4,6-tris(iodanyl)-5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoic acid Openeye Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid CAS Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]anilino]-1,6-dioxohexyl]amino]-2,4,6-triiodo-5-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid IUPAC Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid Traditional Name: 3-[[6-[3-carboxy-2,4,6-triiodo-5-[(2-ketopyrrolidino)methyl]anilino]-6-keto-hexanoyl]amino]-2,4,6-triiodo-5-[(2-ketopyrrolidino)methyl]benzoic acid Formula: C30H28I6N4O8 MolecularWeight: 1333.99214

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

InChI

InChI=1S/C30H28I6N4O8/c31-21-13(11-39-9-3-7-17(39)43)23(33)27(25(35)19(21)29(45)46)37-15(41)5-1-2-6-16(42)38-28-24(34)14(12-40-10-4-8-18(40)44)22(32)20(26(28)36)30(47)48/h1-12H2,(H,37,41)(H,38,42)(H,45,46)(H,47,48)