E9O
Summary
| Name: | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid |
| Formula: | C15 H29 N O4 |
| Formal charge: | 0 |
| Formula weight: | 287.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | PFGVLKMJAGVUAN-CRWXNKLISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC1C(C(C(CN1)O)O)C(=O)O |
