Three-dimensional structure of 2,4D-Lys conjugate
(Mr 349.2 D; Kow, −1.05 for zwitterionic
form, predicted by the ACD/LogD program) obtained using Chem3D Pro,
energy minimization with PM3 parameters, and simulating presence of
water. Atoms are denoted by spheres in the following colors: carbon in
gray, hydrogen in cyan, chlorine in green, oxygen in red, and nitrogen
in blue.