| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(NSCCC(N)C(=O)O)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCSN[S@](=O)C[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCSN[S](=O)C[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CSNS(=O)CC(C(=O)O)N)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-16-10-17(15)3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | XTMCQXZWONKOFP-QJBRIOCBSA-N |
