5-[[3-[[3,5-bis[1,3-bis(oxidanyl)propan-2-ylcarbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-hydroxyethyl)amino]-3-oxidanylidene-propanoyl]-(2-hydroxyethyl)amino]-N1,N3-bis[1,3-bis(oxidanyl)propan-2-yl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-[[3-[[3,5-bis[1,3-bis(oxidanyl)propan-2-ylcarbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-hydroxyethyl)amino]-3-oxidanylidene-propanoyl]-(2-hydroxyethyl)amino]-N1,N3-bis[1,3-bis(oxidanyl)propan-2-yl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: 5-[2-hydroxyethyl-[3-[N-(2-hydroxyethyl)-3,5-bis[[2-hydroxy-1-(hydroxymethyl)ethyl]carbamoyl]-2,4,6-triiodo-anilino]-3-oxo-propanoyl]amino]-N1,N3-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[[3-[3,5-bis[(1,3-dihydroxypropan-2-ylamino)-oxomethyl]-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-1,3-dioxopropyl]-(2-hydroxyethyl)amino]-N1,N3-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[2-hydroxyethyl-[3-[N-(2-hydroxyethyl)-3,5-bis[(2-hydroxy-1-methylol-ethyl)carbamoyl]-2,4,6-triiodo-anilino]-3-keto-propanoyl]amino]-N,N'-bis(2-hydroxy-1-methylol-ethyl)-2,4,6-triiodo-isophthalamide Formula: C35H44I6N6O16 MolecularWeight: 1566.18128

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)C(=O)CC(=O)N(CCO)C2=C(C(=C(C(=C2I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I

Isomeric SMILES

C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)C(=O)CC(=O)N(CCO)C2=C(C(=C(C(=C2I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I

InChI

InChI=1S/C35H44I6N6O16/c36-24-20(32(60)42-14(6-50)7-51)26(38)30(27(39)21(24)33(61)43-15(8-52)9-53)46(1-3-48)18(58)5-19(59)47(2-4-49)31-28(40)22(34(62)44-16(10-54)11-55)25(37)23(29(31)41)35(63)45-17(12-56)13-57/h14-17,48-57H,1-13H2,(H,42,60)(H,43,61)(H,44,62)(H,45,63)