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CAS 499995-75-4

:

(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methylbenzenepropanoic acid

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methylbenzenepropanoic acid, with the CAS number 499995-75-4, is a synthetic organic compound characterized by its complex structure, which includes an amino acid derivative. This compound features a chiral center, indicated by the (βS) designation, which implies that it exists in a specific stereoisomeric form. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it has protective functional groups commonly used in organic synthesis to shield reactive sites during chemical reactions. The 3-methylbenzene moiety indicates that it has an aromatic ring, contributing to its stability and potential interactions in biological systems. As an amino acid derivative, it may exhibit properties relevant to biochemical applications, such as serving as a building block for peptides or influencing biological activity through its interactions with enzymes or receptors. Overall, this compound's unique structural features make it of interest in medicinal chemistry and synthetic organic chemistry.
Formula:C15H21NO4
InChI:InChI=1S/C15H21NO4/c1-10-6-5-7-11(8-10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI key:InChIKey=XICHKLMIOJEDAM-LBPRGKRZSA-N
SMILES:[C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=CC(C)=CC=C1
Synonyms:
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methylbenzenepropanoic acid
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-, (βS)-
  • Boc-(S)-3-Amino-3-(3-methylphenyl)propionic acid
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