ZLX
Summary
| Name: | methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate |
| Formula: | C11 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 239.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.06 | GVYWVRYDCMRUCE-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c2occc2 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccco2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1CC(CN1C(=O)c2ccco2)O |
