| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCCCC(C(=O)O)N)C1N=CCC1C |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9+,10-/m1/s1 |
| InChIKey | InChI | 1.03 | ZFOMKMMPBOQKMC-KXUCPTDWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CC=N[CH]1C(=O)NCCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CC=NC1C(=O)NCCCCC(C(=O)O)N |
