A1IGC
Summary
| Name: | swainsonine-configured alkyl indolizidine |
| Synonyms: | (1S,2R,8R,8aR)-3-heptyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol |
| Formula: | C15 H29 N O3 |
| Formal charge: | 0 |
| Formula weight: | 271.396 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R},8~{R},8~{a}~{R})-3-heptyl-1,2,3,5,6,7,8,8~{a}-octahydroindolizine-1,2,8-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H29NO3/c1-2-3-4-5-6-8-11-14(18)15(19)13-12(17)9-7-10-16(11)13/h11-15,17-19H,2-10H2,1H3/t11?,12-,13-,14-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | WTMDVWSZYWIVEZ-CVFKAICRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC[C@H]1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCCN12 |
| SMILES | CACTVS | 3.385 | CCCCCCC[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCCN12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC1[C@H]([C@H]([C@@H]2N1CCC[C@H]2O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC1C(C(C2N1CCCC2O)O)O |
