J01

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Summary

Name:(2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Synonyms:CLAVULANIC ACID
Formula:C8 H9 N O5
Formal charge:0
Molecular weight:199.161 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OpenEye OEToolkits1.5.0(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2N1C(C(/OC1C2)=C/CO)C(=O)O
SMILES_CANONICALCACTVS3.341OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O
SMILESCACTVS3.341OCC=C1O[CH]2CC(=O)N2[CH]1C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O
SMILESOpenEye OEToolkits1.5.0C1C2N(C1=O)C(C(=CCO)O2)C(=O)O
InChIInChI1.03InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
InChIKeyInChI1.03HZZVJAQRINQKSD-PBFISZAISA-N