| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCCNC(=O)CCCC[C@@H](S)CCS)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCCNC(=O)CCCC[CH](S)CCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@H](CCS)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)NCCCCC(C(=O)O)N)CC(CCS)S |
| InChI | InChI | 1.03 | InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | AYZPHCCEYJWVJC-NEPJUHHUSA-N |
