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

Systemtic Name: N1-[2-[bis[2-[[3-[2,3-bis(oxidanyl)propyl-methyl-carbamoyl]-2,4,6-tris(iodanyl)-5-(2-oxidanylethanoylamino)phenyl]carbonyl-methyl-amino]ethyl]amino]ethyl]-N3-[2,3-bis(oxidanyl)propyl]-2,4,6-tris(iodanyl)-N1,N3-dimethyl-5-(2-oxidanylethanoylamino)benzene-1,3-dicarboxamide Openeye Name: N1-[2-[bis[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-benzoyl]-methyl-amino]ethyl]amino]ethyl]-N3-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-N1,N3-dimethyl-benzene-1,3-dicarboxamide CAS Name: N1-[2-[bis[2-[[[3-[[2,3-dihydroxypropyl(methyl)amino]-oxomethyl]-5-[(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-methylamino]ethyl]amino]ethyl]-N3-(2,3-dihydroxypropyl)-5-[(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodo-N1,N3-dimethylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[2-[bis[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-methylamino]ethyl]amino]ethyl]-3-N-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide Traditional Name: N-[2-[bis[2-[[3-[glyceryl(methyl)carbamoyl]-5-(glycoloylamino)-2,4,6-triiodo-benzoyl]-methyl-amino]ethyl]amino]ethyl]-N'-glyceryl-5-(glycoloylamino)-2,4,6-triiodo-N,N'-dimethyl-isophthalamide Formula: C51H63I9N10O18 MolecularWeight: 2246.24235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(CCN(C)C(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)N(C)CC(CO)O)I)CCN(C)C(=O)C2=C(C(=C(C(=C2I)NC(=O)CO)I)C(=O)N(C)CC(CO)O)I)C(=O)C3=C(C(=C(C(=C3I)NC(=O)CO)I)C(=O)N(C)CC(CO)O)I

Isomeric SMILES

CN(CCN(CCN(C)C(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)N(C)CC(CO)O)I)CCN(C)C(=O)C2=C(C(=C(C(=C2I)NC(=O)CO)I)C(=O)N(C)CC(CO)O)I)C(=O)C3=C(C(=C(C(=C3I)NC(=O)CO)I)C(=O)N(C)CC(CO)O)I

InChI

InChI=1S/C51H63I9N10O18/c1-64(46(83)28-34(52)31(49(86)67(4)13-22(77)16-71)40(58)43(37(28)55)61-25(80)19-74)7-10-70(11-8-65(2)47(84)29-35(53)32(50(87)68(5)14-23(78)17-72)41(59)44(38(29)56)62-26(81)20-75)12-9-66(3)48(85)30-36(54)33(51(88)69(6)15-24(79)18-73)42(60)45(39(30)57)63-27(82)21-76/h22-24,71-79H,7-21H2,1-6H3,(H,61,80)(H,62,81)(H,63,82)