| 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=CC(=NC1=O)N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)N(CC(=O)N(CC[NH3+])CC(O)=O)C=C1 |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)N(CC(=O)N(CC[NH3+])CC(O)=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=CN(C(=O)N=C1N)CC(=O)N(CC[NH3+])CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1 |
| InChIKey | InChI | 1.03 | MFPUAOSBORLXTD-UHFFFAOYSA-O |
