5-[[4-[[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylpropanoyl)amino]-2,3-bis(oxidanyl)butyl]-(2-oxidanylpropanoyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-[[4-[[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-tris(iodanyl)phenyl]-(2-oxidanylpropanoyl)amino]-2,3-bis(oxidanyl)butyl]-(2-oxidanylpropanoyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: 5-[[4-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-(2-hydroxypropanoyl)-2,4,6-triiodo-anilino]-2,3-dihydroxy-butyl]-(2-hydroxypropanoyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: 5-[[4-[3,5-bis[[bis(2-hydroxyethyl)amino]-oxomethyl]-N-(2-hydroxy-1-oxopropyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-(2-hydroxy-1-oxopropyl)amino]-N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 5-[[4-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-N-(2-hydroxypropanoyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]-(2-hydroxypropanoyl)amino]-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: 5-[[4-[3,5-bis[bis(2-hydroxyethyl)carbamoyl]-2,4,6-triiodo-N-lactoyl-anilino]-2,3-dihydroxy-butyl]-lactoyl-amino]-N,N,N',N'-tetrakis(2-hydroxyethyl)-2,4,6-triiodo-isophthalamide Formula: C42H58I6N6O18 MolecularWeight: 1696.36614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H58I6N6O18/c1-21(63)37(67)53(35-31(45)25(39(69)49(3-11-55)4-12-56)29(43)26(32(35)46)40(70)50(5-13-57)6-14-58)19-23(65)24(66)20-54(38(68)22(2)64)36-33(47)27(41(71)51(7-15-59)8-16-60)30(44)28(34(36)48)42(72)52(9-17-61)10-18-62/h21-24,55-66H,3-20H2,1-2H3