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CAS 1194550-59-8

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benzyl(S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate

Description:
Benzyl(S)-2-amino-3-(3-(methylsulfonyl)phenyl)propanoate is a chemical compound characterized by its specific structural features, including an amino acid backbone with a benzyl group and a methylsulfonyl substituent. This compound is classified as an amino acid derivative, which suggests it may exhibit properties typical of both amino acids and aromatic compounds. The presence of the methylsulfonyl group indicates potential for polar interactions, enhancing solubility in polar solvents. The stereochemistry denoted by the (S) configuration implies that it may exhibit chiral properties, which can influence its biological activity and interactions with enzymes or receptors. Additionally, the compound may participate in hydrogen bonding due to the amino group, contributing to its reactivity and potential applications in pharmaceuticals or as a biochemical probe. Overall, its unique combination of functional groups and stereochemistry makes it a compound of interest in medicinal chemistry and related fields.
Formula:C17H19NO4S.ClH
InChI:InChI=1S/C17H19NO4S.ClH/c1-23(20,21)15-9-5-8-14(10-15)11-16(18)17(19)22-12-13-6-3-2-4-7-13;/h2-10,16H,11-12,18H2,1H3;1H/t16-;/m0./s1
InChI key:InChIKey=QMFDSGLDMSBMLX-NTISSMGPSA-N
SMILES:C([C@@H](C(OCC1=CC=CC=C1)=O)N)C2=CC(S(C)(=O)=O)=CC=C2.Cl
Synonyms:
  • 3-(Methylsulfonyl)-L-phenylalanine phenylmethyl ester hydrochloride (1:1)
  • <span class="text-smallcaps">L</span>-Phenylalanine, 3-(methylsulfonyl)-, phenylmethyl ester, hydrochloride (1:1)
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