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CAS 955048-92-7

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3-(1,1-Dimethylethyl) (βS,4S)-4-carboxy-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,2-dimethyl-γ-oxo-3-oxazolidinebutanoate

Description:
The chemical substance known as 3-(1,1-Dimethylethyl) (βS,4S)-4-carboxy-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,2-dimethyl-γ-oxo-3-oxazolidinebutanoate, with the CAS number 955048-92-7, is a complex organic compound characterized by its oxazolidine structure, which incorporates both carboxylic acid and amine functional groups. This compound features a tert-butyl group, contributing to its hydrophobic characteristics, and a fluorenylmethoxycarbonyl (Fmoc) protecting group, commonly used in peptide synthesis to protect amino groups. The stereochemistry indicated by the βS and 4S designations suggests specific spatial arrangements of atoms, which can influence the compound's reactivity and interactions in biological systems. The presence of the γ-oxo group indicates potential for reactivity typical of carbonyl compounds, while the overall structure suggests applications in medicinal chemistry, particularly in the development of peptide-based therapeutics. Its unique combination of functional groups and stereochemistry may also impart specific biological activities, making it a subject of interest in pharmaceutical research.
Formula:C29H34N2O8
InChI:InChI=1S/C29H34N2O8/c1-28(2,3)39-24(32)14-22(25(33)31-23(26(34)35)16-38-29(31,4)5)30-27(36)37-15-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,21-23H,14-16H2,1-5H3,(H,30,36)(H,34,35)/t22-,23-/m0/s1
InChI key:InChIKey=AUPKCQXNRAZESL-GOTSBHOMSA-N
SMILES:C(OC(N[C@H](C(=O)N1[C@H](C(O)=O)COC1(C)C)CC(OC(C)(C)C)=O)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
Synonyms:
  • 3-Oxazolidinebutanoic acid, 4-carboxy-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,2-dimethyl-γ-oxo-, 3-(1,1-dimethylethyl) ester, (βS,4S)-
  • 3-(1,1-Dimethylethyl) (βS,4S)-4-carboxy-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,2-dimethyl-γ-oxo-3-oxazolidinebutanoate
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