CAS 80629-46-5

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

Description:

Methyl (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, with CAS number 80629-46-5, is a complex organic compound characterized by its bicyclic structure, which includes a thiazolidine ring and a carboxylate functional group. This compound features multiple stereocenters, contributing to its chiral nature, which can influence its biological activity and interactions. The presence of a bromine atom and a hydroxyethyl group suggests potential reactivity and solubility properties, while the dimethyl and oxo groups may enhance its stability and lipophilicity. Such structural features often indicate potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The compound's specific stereochemistry and functional groups may also play a crucial role in its mechanism of action, making it of interest for further research in drug design and synthesis. Overall, this compound exemplifies the complexity and diversity of organic molecules in the field of chemistry.

Formula: C₁₁H₁₆BrNO₄S

InChI: InChI=1S/C11H16BrNO4S/c1-5(14)11(12)8(16)13-6(7(15)17-4)10(2,3)18-9(11)13/h5-6,9,14H,1-4H3/t5-,6+,9-,11+/m1/s1

InChI key: InChIKey=MZTLZEMREVFOOE-JUQFDLSGSA-N

SMILES: C(OC)(=O)[C@@H]1N2[C@@]([C@@]([C@@H](C)O)(Br)C2=O)(SC1(C)C)[H]

Synonyms:

• Methyl (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-, methyl ester, (2S,5R,6S)-
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-, methyl ester, [2S-[2α,5α,6α,6(S*)]]-