| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)CCSC)CCCCCCCCCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)N[CH](CCSC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)NC(CCSC)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | FCVASHHBGGKTGT-IBGZPJMESA-N |
