| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c(ccc2OCOc12)CC(CC(C)C)CNC(=O)CCCN |
| InChI | InChI | 1.03 | InChI=1S/C19H28N2O5/c1-12(2)8-13(10-21-16(22)4-3-7-20)9-14-5-6-15-18(26-11-25-15)17(14)19(23)24/h5-6,12-13H,3-4,7-11,20H2,1-2H3,(H,21,22)(H,23,24)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | RVKWMXPCIVFAJW-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](CNC(=O)CCCN)Cc1ccc2OCOc2c1C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](CNC(=O)CCCN)Cc1ccc2OCOc2c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN |
