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CAS 1226812-50-5

:

(1S,6R)-6-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-cyclohexene-1-carboxylic acid

Description:
The chemical substance known as (1S,6R)-6-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-cyclohexene-1-carboxylic acid is characterized by its complex structure, which includes a cyclohexene ring and multiple functional groups. The presence of the dimethylethoxycarbonyl group indicates that it has an ester functionality, which can influence its reactivity and solubility. The specific stereochemistry, denoted by the (1S,6R) configuration, suggests that the molecule has chiral centers, which can affect its biological activity and interactions with other molecules. This compound may exhibit properties typical of amino acids, such as potential for forming peptide bonds, and could be relevant in pharmaceutical applications or as a building block in organic synthesis. Its carboxylic acid group contributes to its acidity and potential for forming salts. Overall, the unique combination of structural features and stereochemistry makes this compound of interest in various chemical and biological contexts.
Formula:C12H19NO4
InChI:InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h4-5,8-9H,6-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m0/s1
InChI key:InChIKey=FEPYBSDCOQXJAI-DTWKUNHWSA-N
SMILES:C(O)(=O)[C@@H]1[C@H](NC(OC(C)(C)C)=O)CC=CC1
Synonyms:
  • (1S,6R)-6-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-cyclohexene-1-carboxylic acid
  • 3-Cyclohexene-1-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,6R)-
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