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Substance Name: Methylene-6-(3-formylallylidene)penicillanate pivalate
RN: 142449-95-4
InChIKey: GCENSIWSRGSXJV-NNIBJMICSA-N

Note

  • Prodrug of 6-acylmethylenepenicillanate.

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • beta-Lactamase Inhibitors
  • Enzyme Inhibitors

Molecular Formula

  • C18-H23-N-O6-S

Molecular Weight

  • 381.4467
 
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Names and Synonyms

Name of Substance

  • Methylene-6-(3-formylallylidene)penicillanate pivalate

Synonyms

  • (2,2-Dimethyl-1-oxopropoxy)methyl 3,3-dimethyl-7-oxo-6-(4-oxo-2-butenylidene)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate (2S-(2alpha,5alpha,6Z(Z)))-
  • (2S-(2alpha,5alpha,6Z(Z)))-(2,2-Dimethyl-1-oxopropoxy)methyl 3,3-dimethyl-7-oxo-6-(4-oxo-2-butenylidene)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
  • MFAPP

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(4-oxo-2-butenylidene)-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2S-(2alpha,5alpha,6Z(Z)))-

Registry Numbers

CAS Registry Number

  • 142449-95-4

System Generated Number

  • 0142449954

Structure Descriptors

InChI

1S/C18H23NO6S/c1-17(2,3)16(23)25-10-24-15(22)12-18(4,5)26-14-11(8-6-7-9-20)13(21)19(12)14/h6-9,12,14H,10H2,1-5H3/b7-6+,11-8-/t12-,14+/m0/s1

InChIKey

GCENSIWSRGSXJV-NNIBJMICSA-N

Smiles

CC1([C@@H](N2[C@H](S1)/C(=C\C=C\C=O)/C2=O)C(=O)OCOC(=O)C(C)(C)C)C