5-[[6-[[3,5-bis[2,3-bis(oxidanyl)propylcarbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylethanoyl)amino]-2,3,4,5-tetrakis(oxidanyl)hexyl]-(2-oxidanylethanoyl)amino]-N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-[[6-[[3,5-bis[2,3-bis(oxidanyl)propylcarbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylethanoyl)amino]-2,3,4,5-tetrakis(oxidanyl)hexyl]-(2-oxidanylethanoyl)amino]-N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: 5-[[6-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-(2-hydroxyacetyl)-2,4,6-triiodo-anilino]-2,3,4,5-tetrahydroxy-hexyl]-(2-hydroxyacetyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[[6-[3,5-bis[(2,3-dihydroxypropylamino)-oxomethyl]-N-(2-hydroxy-1-oxoethyl)-2,4,6-triiodoanilino]-2,3,4,5-tetrahydroxyhexyl]-(2-hydroxy-1-oxoethyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-[[6-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-N-(2-hydroxyacetyl)-2,4,6-triiodoanilino]-2,3,4,5-tetrahydroxyhexyl]-(2-hydroxyacetyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[[6-[3,5-bis(glycerylcarbamoyl)-N-glycoloyl-2,4,6-triiodo-anilino]-2,3,4,5-tetrahydroxy-hexyl]-glycoloyl-amino]-N,N'-diglyceryl-2,4,6-triiodo-isophthalamide Formula: C38H50I6N6O20 MolecularWeight: 1672.25862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H50I6N6O20/c39-25-21(35(67)45-1-13(57)7-51)27(41)31(28(42)22(25)36(68)46-2-14(58)8-52)49(19(63)11-55)5-17(61)33(65)34(66)18(62)6-50(20(64)12-56)32-29(43)23(37(69)47-3-15(59)9-53)26(40)24(30(32)44)38(70)48-4-16(60)10-54/h13-18,33-34,51-62,65-66H,1-12H2,(H,45,67)(H,46,68)(H,47,69)(H,48,70)