| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=CC(C2NC(=C1C(OCCCC)CCCC12)C(=O)O)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCO[C@@H]1CCC[C@H]2[C@H](NC(=C12)C(O)=O)[C@@H](CC)C=O |
| SMILES | CACTVS | 3.341 | CCCCO[CH]1CCC[CH]2[CH](NC(=C12)C(O)=O)[CH](CC)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCO[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC)C=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCOC1CCCC2C1=C(NC2C(CC)C=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H27NO4/c1-3-5-9-22-13-8-6-7-12-14(13)16(17(20)21)18-15(12)11(4-2)10-19/h10-13,15,18H,3-9H2,1-2H3,(H,20,21)/t11-,12+,13+,15+/m0/s1 |
| InChIKey | InChI | 1.03 | WRBRCIHZCYLBFW-KYEXWDHISA-N |
