| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=C\C=O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@](Cn1ccnn1)([C@@H](N\C=C/C=O)C(O)=O)[SH](=O)=O |
| SMILES | CACTVS | 3.341 | C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | ANZZKUOZZHRUQC-AARLMMRRSA-N |
