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

Systemtic Name: N1-[2,3-bis(oxidanyl)propyl]-N3-[3-[[3-[2,3-bis(oxidanyl)propylcarbamoyl]-2,4,6-tris(iodanyl)-5-(2-oxidanylethanoylamino)phenyl]carbonyl-(2-hydroxyethyl)amino]-2-oxidanyl-propyl]-N3-(2-hydroxyethyl)-2,4,6-tris(iodanyl)-5-(2-oxidanylethanoylamino)benzene-1,3-dicarboxamide Openeye Name: N1-(2,3-dihydroxypropyl)-N3-[3-[[3-(2,3-dihydroxypropylcarbamoyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-benzoyl]-(2-hydroxyethyl)amino]-2-hydroxy-propyl]-5-[(2-hydroxyacetyl)amino]-N3-(2-hydroxyethyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: N1-(2,3-dihydroxypropyl)-N3-[3-[[[3-[(2,3-dihydroxypropylamino)-oxomethyl]-5-[(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-(2-hydroxyethyl)amino]-2-hydroxypropyl]-N3-(2-hydroxyethyl)-5-[(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 1-N-(2,3-dihydroxypropyl)-3-N-[3-[[3-(2,3-dihydroxypropylcarbamoyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-(2-hydroxyethyl)amino]-2-hydroxypropyl]-5-[(2-hydroxyacetyl)amino]-3-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: N-glyceryl-N'-[3-[[3-(glycerylcarbamoyl)-5-(glycoloylamino)-2,4,6-triiodo-benzoyl]-(2-hydroxyethyl)amino]-2-hydroxy-propyl]-5-(glycoloylamino)-N'-(2-hydroxyethyl)-2,4,6-triiodo-isophthalamide Formula: C33H40I6N6O15 MolecularWeight: 1522.12872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40I6N6O15/c34-22-18(30(57)40-5-13(52)9-48)24(36)28(42-16(55)11-50)26(38)20(22)32(59)44(1-3-46)7-15(54)8-45(2-4-47)33(60)21-23(35)19(31(58)41-6-14(53)10-49)25(37)29(27(21)39)43-17(56)12-51/h13-15,46-54H,1-12H2,(H,40,57)(H,41,58)(H,42,55)(H,43,56)