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

Systemtic Name: N3-[2,3-bis(oxidanyl)propyl]-5-[[3-[[3-[2,3-bis(oxidanyl)propylcarbamoyl]-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)phenyl]-methanoyl-amino]-2-oxidanyl-propyl]-methanoyl-amino]-N1-(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: N3-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-anilino]-2-hydroxy-propyl]-formyl-amino]-N1-(2-hydroxyethyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: N3-(2,3-dihydroxypropyl)-5-[[3-[3-[(2,3-dihydroxypropylamino)-oxomethyl]-N-formyl-5-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-N1-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 3-N-(2,3-dihydroxypropyl)-5-[[3-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[formyl-[3-[N-formyl-3-(glycerylcarbamoyl)-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-anilino]-2-hydroxy-propyl]amino]-N'-glyceryl-N-(2-hydroxyethyl)-2,4,6-triiodo-isophthalamide Formula: C31H36I6N6O13 MolecularWeight: 1462.07676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36I6N6O13/c32-20-16(28(53)38-1-3-44)22(34)26(24(36)18(20)30(55)40-5-13(50)9-46)42(11-48)7-15(52)8-43(12-49)27-23(35)17(29(54)39-2-4-45)21(33)19(25(27)37)31(56)41-6-14(51)10-47/h11-15,44-47,50-52H,1-10H2,(H,38,53)(H,39,54)(H,40,55)(H,41,56)