| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSCC(=O)CCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(=O)CSC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCC(=O)CSC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)CSCC(C(=O)O)N)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O5S/c10-6(8(13)14)2-1-5(12)3-17-4-7(11)9(15)16/h6-7H,1-4,10-11H2,(H,13,14)(H,15,16)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | HSTBQJNXRSCXIP-BQBZGAKWSA-N |
