Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCCCC1 |
InChI | InChI | 1.06 | InChI=1S/C15H27NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h10-15,17,19-20H,2-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1 |
InChIKey | InChI | 1.06 | ZYHQMRNILDNVCD-KJWHEZOQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC2CCCCC2 |
SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC2CCCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2CCCCC2)CO)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C(C(OC1OCC2CCCCC2)CO)O)O |