A1IGB
Summary
| Name: | amide modified swainsonine-configured alkyl indolizidine |
| Synonyms: | (1S,2R,3S,8R,8aR)-1,2,8-tris(oxidanyl)-N-pentyl-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-3-carboxamide |
| Formula: | C14 H27 N2 O4 |
| Formal charge: | 1 |
| Formula weight: | 287.375 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R},3~{S},8~{R},8~{a}~{R})-1,2,8-tris(oxidanyl)-~{N}-pentyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-indolizin-4-ium-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H26N2O4/c1-2-3-4-7-15-14(20)11-13(19)12(18)10-9(17)6-5-8-16(10)11/h9-13,17-19H,2-8H2,1H3,(H,15,20)/p+1/t9-,10-,11+,12+,13-/m1/s1 |
| InChIKey | InChI | 1.06 | SVMAJDSAUQKGEG-NAWOPXAZSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCNC(=O)[C@@H]1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCC[NH+]12 |
| SMILES | CACTVS | 3.385 | CCCCCNC(=O)[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCC[NH+]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H]2[NH+]1CCC[C@H]2O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCNC(=O)C1C(C(C2[NH+]1CCCC2O)O)O |
