5-[3-[3-[[3,5-bis[2,3-bis(oxidanyl)propyl-methyl-carbamoyl]-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)-N1,N3-dimethyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-[3-[3-[[3,5-bis[2,3-bis(oxidanyl)propyl-methyl-carbamoyl]-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-N1,N3-bis[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)-N1,N3-dimethyl-benzene-1,3-dicarboxamide Openeye Name: 5-[3-[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-anilino]-3-oxo-propyl]sulfanylpropanoylamino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-benzene-1,3-dicarboxamide CAS Name: 5-[[3-[[3-[3,5-bis[[2,3-dihydroxypropyl(methyl)amino]-oxomethyl]-2,4,6-triiodoanilino]-3-oxopropyl]thio]-1-oxopropyl]amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethylbenzene-1,3-dicarboxamide IUPAC Name: 5-[3-[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodoanilino]-3-oxopropyl]sulfanylpropanoylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide Traditional Name: 5-[3-[[3-[3,5-bis[glyceryl(methyl)carbamoyl]-2,4,6-triiodo-anilino]-3-keto-propyl]thio]propanoylamino]-N,N'-diglyceryl-2,4,6-triiodo-N,N'-dimethyl-isophthalamide Formula: C38H50I6N6O14S MolecularWeight: 1608.32722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)CCSCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I)I)C(=O)N(C)CC(CO)O)I

Isomeric SMILES

CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)CCSCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I)I)C(=O)N(C)CC(CO)O)I

InChI

InChI=1S/C38H50I6N6O14S/c1-47(9-17(55)13-51)35(61)23-27(39)24(36(62)48(2)10-18(56)14-52)30(42)33(29(23)41)45-21(59)5-7-65-8-6-22(60)46-34-31(43)25(37(63)49(3)11-19(57)15-53)28(40)26(32(34)44)38(64)50(4)12-20(58)16-54/h17-20,51-58H,5-16H2,1-4H3,(H,45,59)(H,46,60)