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CAS 74189-25-6

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Diphenylmethyl (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Description:
Diphenylmethyl (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, with CAS number 74189-25-6, is a chemical compound characterized by its complex bicyclic structure, which includes a thiazolidine ring and a carboxylate functional group. This compound features a bromine atom at the 6-position, contributing to its reactivity and potential biological activity. The presence of the diphenylmethyl group suggests that it may exhibit significant lipophilicity, influencing its solubility and interaction with biological membranes. The stereochemistry indicated by the (2S,5R,6S) configuration is crucial for its pharmacological properties, as it may affect the compound's binding affinity to biological targets. Additionally, the oxo group at the 7-position may enhance its reactivity and stability. Overall, this compound's unique structural features may render it of interest in medicinal chemistry, particularly in the development of novel therapeutics. However, specific biological activities and applications would require further investigation through empirical studies.
Formula:C21H20BrNO3S
InChI:InChI=1S/C21H20BrNO3S/c1-21(2)17(23-18(24)15(22)19(23)27-21)20(25)26-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-17,19H,1-2H3/t15-,17-,19+/m0/s1
InChI key:InChIKey=AMBSBLJTIXEDCG-VDZJLULYSA-N
SMILES:C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)[C@@H]3N4[C@@]([C@@H](Br)C4=O)(SC3(C)C)[H]
Synonyms:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, diphenylmethyl ester, (2S,5R,6S)-
  • Diphenylmethyl 6α-bromopenicillanate
  • Diphenylmethyl (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Benzhydryl 6α-bromopenicillanate
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, diphenylmethyl ester, [2S-(2α,5α,6α)]-
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