CAS 479413-50-8

6-[(Cyclohexylcarbamoyl)amino]hexanoic acid

CAS: 479413-50-8

6-[(Cyclohexylcarbamoyl)amino]hexanoic acid is a ligand that interacts with the cavity of a diode. The structural properties of the ligand and its interactions with the cavity are simulated using molecular dynamics simulations. The frequency range for the optimization process is determined by evaluating the interaction energies between 6-[(Cyclohexylcarbamoyl)amino]hexanoic acid and the cavity. The optimization process is carried out using at least one of regression, minimization, or gradient descent. In some embodiments, amino acids are used to represent 6-[(Cyclohexylcarbamoyl)amino]hexanoic acid.

Formula: C₁₃H₂₄N₂O₃

Purity: Min. 95%

Molecular weight: 256.34 g/mol

Ref: 3D-EUA41350