| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1snc([O-])c1C[C@H]([NH3+])C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)(C)c1snc([O-])c1C[CH]([NH3+])C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1c(c(ns1)[O-])CC(C(=O)O)[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | FHWOAQCPEFTDOQ-LURJTMIESA-N |
