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CAS 7009-88-3

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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2,5-diphenylpiperazine (2:1)

Description:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-, compd. with 2,5-diphenylpiperazine (2:1) is a complex organic compound characterized by its bicyclic structure, which incorporates both sulfur and nitrogen atoms, contributing to its unique chemical properties. The presence of a carboxylic acid functional group indicates potential acidity and reactivity, while the dimethyl and phenylacetyl substituents suggest that the compound may exhibit significant steric hindrance and lipophilicity. The compound's stereochemistry, denoted by the (2S,5R,6R) configuration, implies specific spatial arrangements that can influence its biological activity and interaction with receptors. Additionally, the combination with 2,5-diphenylpiperazine suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting central nervous system disorders. Overall, this compound's intricate structure and functional groups may confer a range of chemical behaviors, making it a subject of interest in both synthetic and medicinal chemistry research.
Formula:C16H18N2O4SC16H18N2
InChI:InChI=1S/C16H18N2O4S.C16H18N2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2/t11-,12+,14-;/m1./s1
InChI key:InChIKey=SJJDHHKQDGROIN-LQDWTQKMSA-N
SMILES:C1(CNC(CN1)C2=CC=CC=C2)C3=CC=CC=C3.C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CC3=CC=CC=C3)=O)C2=O)(SC1(C)C)[H]
Synonyms:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2,5-diphenylpiperazine (2:1)
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2,5-diphenylpiperazine (2:1)
  • Penicillin G, 2,5-diphenylpiperazine salt (2:1)
  • 6-(2-phenylacetamido)penicillanic acid--2,5-diphenylpiperazine (1:2)
  • 2,5-diphenylpiperazine benzylpenicillin
  • Penicillin G, compd. with 2,5-diphenylpiperazine (2:1)
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-[2S-(2α,5α,6β)]-, compd. with 2,5-diphenylpiperazine (2:1)
  • (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - 2,5-diphenylpiperazine (2:1)
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