3-(acetamidomethyl)-N-[2,3-bis(oxidanyl)propyl]-5-[2-hydroxyethyl(2-oxidanylethanoyl)amino]-2,4,6-tris(iodanyl)benzamide

Systemtic Name: 3-(acetamidomethyl)-N-[2,3-bis(oxidanyl)propyl]-5-[2-hydroxyethyl(2-oxidanylethanoyl)amino]-2,4,6-tris(iodanyl)benzamide Openeye Name: 3-(acetamidomethyl)-N-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodo-benzamide CAS Name: 3-(acetamidomethyl)-N-(2,3-dihydroxypropyl)-5-[2-hydroxyethyl-(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodobenzamide IUPAC Name: 3-(acetamidomethyl)-N-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzamide Traditional Name: 3-(acetamidomethyl)-N-glyceryl-5-[glycoloyl(2-hydroxyethyl)amino]-2,4,6-triiodo-benzamide Formula: C17H22I3N3O7 MolecularWeight: 761.08589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)N(CCO)C(=O)CO)I

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)N(CCO)C(=O)CO)I

InChI

InChI=1S/C17H22I3N3O7/c1-8(27)21-5-10-13(18)12(17(30)22-4-9(28)6-25)15(20)16(14(10)19)23(2-3-24)11(29)7-26/h9,24-26,28H,2-7H2,1H3,(H,21,27)(H,22,30)