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 | 0.7 | 589.7 | |
C11 | 1.1 | 605.7 | |
C12 | 0.0 | 617.7 | |
C13 | −0.9 | 633.7 | |
C14 | −2.8 | 649.7 | |
C15 | −0.5 | 646.7 | |
C16 | −0.7 | 634.7 | |
C17 | −3.6 | 650.7 |
a,bSee the footnote of Table 1.