| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)CCCCN |
| InChI | InChI | 1.03 | InChI=1S/C20H30N2O5/c1-13(2)9-14(11-22-17(23)5-3-4-8-21)10-15-6-7-16-19(27-12-26-16)18(15)20(24)25/h6-7,13-14H,3-5,8-12,21H2,1-2H3,(H,22,23)(H,24,25)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | PPUJEZUKUJTCNK-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](CNC(=O)CCCCN)Cc1ccc2OCOc2c1C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](CNC(=O)CCCCN)Cc1ccc2OCOc2c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN |
