E8X
Summary
| Name: | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid |
| Formula: | C12 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 245.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H23NO4/c1-2-3-4-5-6-8-10(12(16)17)11(15)9(14)7-13-8/h8-11,13-15H,2-7H2,1H3,(H,16,17)/t8-,9+,10-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | RRWNAAJMVJWKAM-VLEAKVRGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCC1C(C(C(CN1)O)O)C(=O)O |
