Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(N1CC(C(O)C(O)C1CO)O)CCCCCCCCn2cc(COC)nn2 |
InChI | InChI | 1.03 | InChI=1S/C19H36N4O5/c1-28-14-15-11-23(21-20-15)10-8-6-4-2-3-5-7-9-22-12-17(25)19(27)18(26)16(22)13-24/h11,16-19,24-27H,2-10,12-14H2,1H3/t16-,17+,18-,19-/m1/s1 |
InChIKey | InChI | 1.03 | XGVWMUFCIMYWGD-FCGDIQPGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCc1cn(CCCCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)nn1 |
SMILES | CACTVS | 3.385 | COCc1cn(CCCCCCCCCN2C[CH](O)[CH](O)[CH](O)[CH]2CO)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | COCc1cn(nn1)CCCCCCCCCN2CC(C(C(C2CO)O)O)O |