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CAS 39878-70-1

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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, hydrochloride (1:1), (2S,5R,6R)-

Description:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, hydrochloride (1:1), with CAS number 39878-70-1, is a complex organic compound characterized by its bicyclic structure that incorporates sulfur and nitrogen atoms. This compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The presence of an amide linkage indicates that it can participate in various chemical reactions, including hydrolysis and peptide bond formation. The isobenzofuran moiety suggests potential aromatic characteristics, which may influence its solubility and interaction with biological systems. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, enhancing its bioavailability. The stereochemistry indicated by the (2S,5R,6R) configuration suggests specific spatial arrangements that could be crucial for its biological activity, making it of interest in pharmaceutical applications. Overall, this compound's unique structural features may contribute to its potential therapeutic properties.
Formula:C24H23N3O6S·ClH
InChI:InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1
InChI key:InChIKey=PAZSYTCTHYSIAO-WVFSJLEKSA-N
SMILES:C(OC1C=2C(C(=O)O1)=CC=CC2)(=O)[C@@H]3N4[C@@]([C@H](NC([C@H](N)C5=CC=CC=C5)=O)C4=O)(SC3(C)C)[H].Cl
Synonyms:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, hydrochloride (1:1), (2S,5R,6R)-
  • Ampicillin phthalidyl ester hydrochloride
  • PC 183
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, monohydrochloride, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, monohydrochloride, (2S,5R,6R)-
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