CAS 96386-94-6

Methyl (3S)-5-methyl-3-[[(phenylmethoxy)carbonyl]amino]hexanoate

Description:

Methyl (3S)-5-methyl-3-[[(phenylmethoxy)carbonyl]amino]hexanoate, with the CAS number 96386-94-6, is an organic compound characterized by its complex structure, which includes a hexanoate backbone, a methyl group, and a phenylmethoxycarbonyl group. This compound is typically classified as an amino acid derivative due to the presence of the amino functional group. Its stereochemistry is defined by the (3S) configuration, indicating specific spatial arrangements of its atoms, which can influence its biological activity and interactions. The presence of the ester functional group (methyl ester) suggests that it may exhibit properties typical of esters, such as volatility and solubility in organic solvents. Additionally, the phenylmethoxy group contributes to its hydrophobic characteristics, potentially affecting its solubility in aqueous environments. This compound may be of interest in pharmaceutical applications, particularly in the synthesis of peptide analogs or as intermediates in organic synthesis due to its functional groups and stereochemical properties.

Formula: C₁₆H₂₃NO₄

InChI: InChI=1S/C16H23NO4/c1-12(2)9-14(10-15(18)20-3)17-16(19)21-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,19)/t14-/m0/s1

InChI key: InChIKey=BBFRZHWCVFSFQZ-AWEZNQCLSA-N

SMILES: [C@@H](NC(OCC1=CC=CC=C1)=O)(CC(OC)=O)CC(C)C

Synonyms:

• (s)-Methyl 3-(cbz-amino)-5-methylhexanoate
• Hexanoic acid, 5-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (S)-
• (S)-Methyl 3-(benzyloxycarbonylamino)-5-methylhexanoate
• Methyl (3S)-5-methyl-3-[[(phenylmethoxy)carbonyl]amino]hexanoate
• Hexanoic acid, 5-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (3S)-

(S)-METHYL 3-(CBZ-AMINO)-5-METHYLHEXANOATE

CAS: 96386-94-6

Formula: C₁₆H₂₃NO₄

Purity: 97.0%

Molecular weight: 293.363

Ref: 10-F301596