Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1 |
InChI | InChI | 1.03 | InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1 |
InChIKey | InChI | 1.03 | XAMJEPWYNXYYBT-BURFUSLBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CCCC1CCCCC1 |
SMILES | CACTVS | 3.370 | OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CCCC1CCCCC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O |