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CAS 90731-57-0

:

(βS)-N-[(1,1-Dimethylethoxy)carbonyl]-β-methyl-L-phenylalanine

Description:
(βS)-N-[(1,1-Dimethylethoxy)carbonyl]-β-methyl-L-phenylalanine, with CAS number 90731-57-0, is an amino acid derivative characterized by its unique structural features. This compound contains a β-methyl group, which contributes to its stereochemistry and influences its interactions in biological systems. The presence of the 1,1-dimethylethoxycarbonyl group enhances its lipophilicity, making it more soluble in organic solvents compared to standard amino acids. This modification can also affect its reactivity and stability, particularly in peptide synthesis. The compound is typically used in the field of medicinal chemistry and peptide synthesis, where it may serve as a building block for more complex molecules. Its chirality, indicated by the (βS) designation, suggests that it may exhibit specific biological activities or interactions, which are often critical in drug design and development. Overall, this compound exemplifies the importance of structural modifications in tailoring the properties of amino acid derivatives for specific applications in research and industry.
Formula:C15H21NO4
InChI:InChI=1S/C15H21NO4/c1-10(11-8-6-5-7-9-11)12(13(17)18)16-14(19)20-15(2,3)4/h5-10,12H,1-4H3,(H,16,19)(H,17,18)/t10-,12-/m0/s1
InChI key:InChIKey=XFSLNPBJZAPTMM-JQWIXIFHSA-N
SMILES:[C@@H]([C@@H](C)C1=CC=CC=C1)(NC(OC(C)(C)C)=O)C(O)=O
Synonyms:
  • L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-methyl-, erythro-
  • L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-methyl-, (βS)-
  • (βS)-N-[(1,1-Dimethylethoxy)carbonyl]-β-methyl-L-phenylalanine
  • (2S,3S)-2-[(tert-Butoxycarbonyl)amino]-3-phenylbutanoic acid
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