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CAS 400827-68-1

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Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Description:
Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, with CAS number 400827-68-1, is a complex organic compound characterized by its bicyclic structure and multiple functional groups. This substance features a thiazole ring, which contributes to its potential biological activity, and a carboxylate group that may influence its solubility and reactivity. The presence of diphenylmethyl and phenylacetyl moieties suggests that it may exhibit significant lipophilicity, potentially affecting its pharmacokinetic properties. The stereochemistry indicated by the (6R,7R) configuration implies specific spatial arrangements that could be crucial for its interaction with biological targets. Overall, this compound may be of interest in medicinal chemistry, particularly for its potential therapeutic applications, although detailed studies would be necessary to elucidate its biological activity and mechanism of action.
Formula:C36H28N4O4S3
InChI:InChI=1S/C36H28N4O4S3/c41-29(20-23-10-4-1-5-11-23)39-30-33(42)40-31(35(43)44-32(25-12-6-2-7-13-25)26-14-8-3-9-15-26)28(22-45-34(30)40)47-36-38-27(21-46-36)24-16-18-37-19-17-24/h1-19,21,30,32,34H,20,22H2,(H,39,41)/t30-,34-/m1/s1
InChI key:InChIKey=VXJFBSXELWIKCO-KAODMTDESA-N
SMILES:C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)C=3N4[C@@]([C@H](NC(CC5=CC=CC=C5)=O)C4=O)(SCC3SC6=NC(=CS6)C=7C=CN=CC7)[H]
Synonyms:
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)-
  • Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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