8WQ
Summary
| Name: | (2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid |
| Formula: | C7 H9 N O6 |
| Formal charge: | 0 |
| Formula weight: | 203.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO6/c9-2-1-8-4(6(11)12)3(2)5(10)7(13)14/h2-4,8-9H,1H2,(H,11,12)(H,13,14)/t2-,3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | XAWWSRPWEJXFEU-HZLVTQRSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CN[C@@H]([C@H]1C(=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1CN[CH]([CH]1C(=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(N1)C(=O)O)C(=O)C(=O)O)O |
