| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)CCCCCCCCCCC)Cc1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)NC(Cc1ccc(cc1)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-11-20(24)22-19(21(25)26)16-17-12-14-18(23)15-13-17/h12-15,19,23H,2-11,16H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | SVQAZCRYIXURJT-IBGZPJMESA-N |
