Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCC1CCCCC1 |
SMILES_CANONICAL | CACTVS | 3.341 | OCCN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)CCC1CCCCC1 |
SMILES | CACTVS | 3.341 | OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CCC1CCCCC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)CCC(=O)N(CCO)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)CCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C17H33NO7/c19-9-8-18(10-13(21)16(24)17(25)14(22)11-20)15(23)7-6-12-4-2-1-3-5-12/h12-14,16-17,19-22,24-25H,1-11H2/t13-,14+,16-,17+/m0/s1 |
InChIKey | InChI | 1.03 | AHJZPLOICPCLQM-HDEZJCGLSA-N |