Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC)C1CC(OCCN)C(O)CC1C(=O)OC |
SMILES_CANONICAL | CACTVS | 3.352 | COC(=O)[C@H]1C[C@H](O)[C@H](C[C@@H]1C(=O)OC)OCCN |
SMILES | CACTVS | 3.352 | COC(=O)[CH]1C[CH](O)[CH](C[CH]1C(=O)OC)OCCN |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)OCCN)O |
SMILES | OpenEye OEToolkits | 1.6.1 | COC(=O)C1CC(C(CC1C(=O)OC)OCCN)O |
InChI | InChI | 1.03 | InChI=1S/C12H21NO6/c1-17-11(15)7-5-9(14)10(19-4-3-13)6-8(7)12(16)18-2/h7-10,14H,3-6,13H2,1-2H3/t7-,8-,9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | WYAPMBKZVWWHIJ-XKNYDFJKSA-N |