EX8
Summary
| Name: | (2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde |
| Formula: | C5 H8 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 149.12 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1 |
| InChIKey | InChI | 1.06 | YKUGAOZPOJCILK-HZLVTQRSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CN[C@@H]([C@H]1F)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1CN[CH]([CH]1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@@H]([C@H](N1)C(=O)O)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(N1)C(=O)O)F)O |
