| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCCCC(C(=O)O)N)C1N=CCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3O3/c13-9(12(17)18)5-1-3-8-15-11(16)10-6-2-4-7-14-10/h7,9-10H,1-6,8,13H2,(H,15,16)(H,17,18)/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | KRPZACZJBBRBIT-VHSXEESVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)[C@H]1CCCC=N1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)[CH]1CCCC=N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC=NC(C1)C(=O)NCCCCC(C(=O)O)N |
