Analyte Name

Nitroso-Valganciclovir N3,N3'-Methylene Dimer

Molecular Formula

C29 H43 N13 O11

Molecular Weight

749.73222

Accurate Mass

749.3205

SMILES

CC(C)[C@H](N)C(OCC(CO)OCN1C(NC(N(N=O)CNC(NC2=C3N=CN2COC(CO)COC([C@H](C(C)C)N)=O)=NC3=O)=NC4=O)=C4N=C1)=O

InChI

InChI=1S/C29H43N13O11/c1-14(2)18(30)26(47)50-7-16(5-43)52-12-40-9-32-20-22(40)35-28(37-24(20)45)34-11-42(39-49)29-36-23-21(25(46)38-29)33-10-41(23)13-53-17(6-44)8-51-27(48)19(31)15(3)4/h9-10,14-19,43-44H,5-8,11-13,30-31H2,1-4H3,(H,36,38,46)(H2,34,35,37,45)/t16?,17?,18-,19-/m0/s1

IUPAC

[2-[[2-[[[9-[[1-[[(2S)-2-amino-3-methyl-butanoyl]oxymethyl]-2-hydroxy-ethoxy]methyl]-6-oxo-3H-purin-2-yl]-nitroso-amino]methylamino]-6-oxo-3H-purin-9-yl]methoxy]-3-hydroxy-propyl] (2S)-2-amino-3-methyl-butanoate

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat