Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C1CC(C(C(C1O)O)O)(CO)O)CCCC |
InChI | InChI | 1.03 | InChI=1S/C11H23NO5/c1-2-3-4-12-7-5-11(17,6-13)10(16)9(15)8(7)14/h7-10,12-17H,2-6H2,1H3/t7-,8-,9+,10-,11-/m0/s1 |
InChIKey | InChI | 1.03 | OSBGPDPUURWCPT-HHKYUTTNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCN[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | CCCCN[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNC1CC(C(C(C1O)O)O)(CO)O |