| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(N(CC(=O)O)CC[NH3+])CN1C=C(C(=O)NC1=O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CN(CC(=O)N(CC[NH3+])CC(O)=O)C(=O)NC1=O |
| SMILES | CACTVS | 3.370 | CC1=CN(CC(=O)N(CC[NH3+])CC(O)=O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N4O5/c1-7-4-15(11(20)13-10(7)19)5-8(16)14(3-2-12)6-9(17)18/h4H,2-3,5-6,12H2,1H3,(H,17,18)(H,13,19,20)/p+1 |
| InChIKey | InChI | 1.03 | NSCRQJLBPSKCNK-UHFFFAOYSA-O |
