VP5
Summary
| Name: | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid |
| Formula: | C6 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 177.155 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4+/m0/s1 |
| InChIKey | InChI | 1.06 | VJJFPBNJYGLWRR-IUYQGCFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@H](CNCC1(O)O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](CNCC1(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H](C(CN1)(O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(CN1)(O)O)O)C(=O)O |
