J01
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 |
| Formula weight: | 199.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N1C(C(/OC1C2)=C/CO)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |
| SMILES | CACTVS | 3.341 | OCC=C1O[CH]2CC(=O)N2[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2N(C1=O)C(C(=CCO)O2)C(=O)O |
| InChI | InChI | 1.03 | InChI=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 |
| InChIKey | InChI | 1.03 | HZZVJAQRINQKSD-PBFISZAISA-N |
