L4A
Summary
| Name: | 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid |
| Synonyms: | Clavulanic Acid, opened form |
| Formula: | C8 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 201.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(oc(c(n1)C(=O)O)CCO)CCO |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO5/c10-3-1-5-7(8(12)13)9-6(14-5)2-4-11/h10-11H,1-4H2,(H,12,13) |
| InChIKey | InChI | 1.03 | PLUGCRBIUHQSBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCc1oc(CCO)c(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCc1oc(CCO)c(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CO)c1c(nc(o1)CCO)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CO)c1c(nc(o1)CCO)C(=O)O |
