| PDB CCD ID: | A1IGB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H27 N2 O4 |
| InChI: | 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: | SVMAJDSAUQKGEG-NAWOPXAZSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H]2[NH+]1CCC[C@H]2O)O)O | | OpenEye OEToolkits 2.0.7 | CCCCCNC(=O)C1C(C(C2[NH+]1CCCC2O)O)O | | CACTVS 3.385 | CCCCCNC(=O)[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCC[NH+]12 | | CACTVS 3.385 | CCCCCNC(=O)[C@@H]1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)CCC[NH+]12 |
|
| Name: | amide modified swainsonine-configured alkyl indolizidine;
(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 |
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