| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NCC(N)Cc1ccccc1)CCSC |
| InChI | InChI | 1.03 | InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | NHMOMUGXIBIDTK-QWHCGFSZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CSCC[C@@H](NC[C@@H](N)Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.370 | CSCC[CH](NC[CH](N)Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CSCC[C@H](C(=O)O)NC[C@H](Cc1ccccc1)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSCCC(C(=O)O)NCC(Cc1ccccc1)N |
