| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC1CCC(C(=O)O)CC1)N(C(=C\S)\N)CCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H24N2O6S/c16-12(9-24)17(8-2-1-3-13(18)19)15(22)23-11-6-4-10(5-7-11)14(20)21/h9-11,24H,1-8,16H2,(H,18,19)(H,20,21)/b12-9+/t10-,11- |
| InChIKey | InChI | 1.03 | RVJFTXMCSWVIBW-FXJSDQFGSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N\C(=C/S)N(CCCCC(O)=O)C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O |
| SMILES | CACTVS | 3.370 | NC(=CS)N(CCCCC(O)=O)C(=O)O[CH]1CC[CH](CC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)/C(=C/S)/N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(CCC1C(=O)O)OC(=O)N(CCCCC(=O)O)C(=CS)N |
