CAS 77004-76-3

1-(1,1-Dimethylethyl) 4-methyl N-[(1,1-dimethylethoxy)carbonyl]-D-aspartate

Description:

1-(1,1-Dimethylethyl) 4-methyl N-[(1,1-dimethylethoxy)carbonyl]-D-aspartate, with CAS number 77004-76-3, is a chemical compound that belongs to the class of amino acid derivatives. This substance features a D-aspartate backbone, which is an amino acid known for its role in neurotransmission and metabolism. The presence of bulky tert-butyl and tert-butoxycarbonyl groups enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The compound is likely to exhibit specific reactivity due to the functional groups present, which may participate in various chemical reactions, including esterification and amidation. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological pathways. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature, making it important to consider these conditions in practical applications. Overall, this compound represents a unique combination of structural features that may confer interesting biological and chemical properties.

Formula: C₁₄H₂₅NO₆

InChI: InChI=1S/C14H25NO6/c1-13(2,3)20-11(17)9(8-10(16)19-7)15-12(18)21-14(4,5)6/h9H,8H2,1-7H3,(H,15,18)/t9-/m1/s1

InChI key: InChIKey=VQBQQLCEXJJCSY-SECBINFHSA-N

SMILES: [C@H](NC(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)CC(OC)=O

Synonyms:

• 1-(1,1-Dimethylethyl) 4-methyl N-[(1,1-dimethylethoxy)carbonyl]-D-aspartate
• D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(1,1-dimethylethyl) 4-methyl ester