Analyte Name

Lenacapavir oxo impurity

Molecular Formula

C39H32ClF8N7O6S2

Molecular Weight

946.29

Accurate Mass

945.14

SMILES

O=C(N[C@H](C1=C(C(C=C2)=C(N3CC(F)(F)F)C(C(N[S](C)(=O)=O)=N3)=C2Cl)C=CC(C#CC(C)(C)[S](C)(=O)=O)=N1)CC4=CC(F)=CC(F)=C4)CN5C(C6=O)=C(C(C(F)(F)F)=N5)[C@]7([H])[C@@]6([H])C7

InChI

InChI=1S/C39H32ClF8N7O6S2/c1-37(2,62(3,58)59)10-9-21-5-6-22(23-7-8-26(40)30-32(23)55(17-38(43,44)45)52-36(30)53-63(4,60)61)31(49-21)27(13-18-11-19(41)14-20(42)12-18)50-28(56)16-54-33-29(24-15-25(24)34(33)57)35(51-54)39(46,47)48/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,50,56)(H,52,53)/t24-,25+,27-/m0/s1

IUPAC

N-((S)-1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-5-oxo-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide

Country of Origin

CANADA

Product Format

Neat