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. 2020 Nov 4;10(66):40244–40263. doi: 10.1039/d0ra08304f

Optimization of P3 residue of new candidates for the SARS-CoV-2 Mpro α-ketoamide inhibitorsa.

Compound Formula: P3–P2–P1–P1′ ΔΔEint,MMa [kcal mol−1] M w b [g mol−1]
C9 graphic file with name d0ra08304f-u29.jpg 0.7 589.7
C11 graphic file with name d0ra08304f-u30.jpg 1.1 605.7
C12 graphic file with name d0ra08304f-u31.jpg 0.0 617.7
C13 graphic file with name d0ra08304f-u32.jpg −0.9 633.7
C14 graphic file with name d0ra08304f-u33.jpg −2.8 649.7
C15 graphic file with name d0ra08304f-u34.jpg −0.5 646.7
C16 graphic file with name d0ra08304f-u35.jpg −0.7 634.7
C17 graphic file with name d0ra08304f-u36.jpg −3.6 650.7
a

a,bSee the footnote of Table 1.