Figure 6.
Predicted Raman spectra for molecules 2 and 3 (Figure 5), which mimic the Δ1 or Δ2-acyl enzyme, respectively. The dominant features arise from the highly polarizable N1=C2 stretch around 1600 cm-1 (solid line) or C2=C3 stretching motions around 1550 cm-1 (dashed line). Hydrolysis of meropenem shows that the Δ1-pyrroline is strongly favored thermodynamically over the Δ2 isomer under basic conditions, while approximately equal amounts of the Δ1 and Δ2 isomers are present under acidic conditions.