| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCC1SCC2N(C(=O)C)C(=O)NC12 |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2O4S/c1-7(15)14-8-6-19-9(11(8)13-12(14)18)4-2-3-5-10(16)17/h8-9,11H,2-6H2,1H3,(H,13,18)(H,16,17)/t8-,9-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | LXKFOEIWWHPOIN-QXEWZRGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2NC1=O |
| SMILES | CACTVS | 3.370 | CC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(=O)N1C2CSC(C2NC1=O)CCCCC(=O)O |
