| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCCN=C(CCC(O)=O)C[S](=O)(=O)CC(=O)CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCCN=C(CCC(O)=O)C[S](=O)(=O)CC(=O)CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC/N=C(\CCC(=O)O)/CS(=O)(=O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCN=C(CCC(=O)O)CS(=O)(=O)CC(=O)CCC(=O)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H26N2O9S/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-28(26,27)10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | VZZTXTHYLVASGB-FHXOWUIVSA-N |
