| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)O)CCCNC(=[NH2+])\N)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])NCCC[C@@H](NC(=O)CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])NCCC[CH](NC(=O)CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@H](C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)O)NC(=O)CC(=O)O)CNC(=[NH2+])N |
| InChI | InChI | 1.03 | InChI=1S/C9H16N4O5/c10-9(11)12-3-1-2-5(8(17)18)13-6(14)4-7(15)16/h5H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H4,10,11,12)/p+1/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | OBXDDNPKMORRHB-RXMQYKEDSA-O |
