Ac-Val-NHMe

CAS: 19701-84-9

Ref. 3D-FA111816

Product Information

• Name: Ac-Val-NHMe
• Synonyms: (2S)-2-(Acetylamino)-N,3-dimethylbutanamide, (2S)-2-Acetamido-N,3-dimethylbutanamide, 2-Acetamido-N,3-dimethyl-<span class="text-smallcaps">L</span>-butyramide, Butanamide, 2-(acetylamino)-N,3-dimethyl-, (2S)-, Butanamide, 2-(acetylamino)-N,3-dimethyl-, (S)-, Butyramide, 2-acetamido-N,3-dimethyl-, <span class="text-smallcaps">L</span>-, N-Acetyl-<span class="text-smallcaps">L</span>-valine N-methylamide, N-Acetyl-<span class="text-smallcaps">L</span>-valine methylamide, N-Acetyl-N′-methyl-<span class="text-smallcaps">L</span>-valinamide, N-Acetyl-N′-methylvalinamide, N~2~-acetyl-N-methyl-L-valinamide
• CAS: 19701-84-9

Description

Ac-Val-NHMe is a non-polar, hydrophobic molecule that participates in non-covalent interactions with other molecules. The main function of Ac-Val-NHMe is the formation of hydrogen bonds and van der Waals interactions with other hydrophobic molecules. It has been shown experimentally that Ac-Val-NHMe interacts with norvaline to form a dimer. This dimer can be rationalized by the theory of rationalized molecular orbital (MO) theory and functional theory. The dihedral angle for this interaction is 100°, which is chiral. However, at low temperatures, it may also exist as a racemic mixture due to the lack of sufficient energy to overcome the entropy barrier.

• Brand: Biosynth

Chemical properties

• Molecular weight: 172.22 g/mol
• Formula: C₈H₁₆N₂O₂
• Purity: Min. 95%
• InChI: InChI=1S/C8H16N2O2/c1-5(2)7(8(12)9-4)10-6(3)11/h5,7H,1-4H3,(H,9,12)(H,10,11)/t7-/m0/s1
• InChI key: InChIKey=CERMWOUCIZTOBO-ZETCQYMHSA-N
• SMILES: CNC(=O)[C@@H](NC(C)=O)C(C)C