| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncnc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc12 |
| SMILES | CACTVS | 3.370 | Nc1ncnc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)CC(=O)N(CC[NH3+])CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H15N7O3/c12-1-2-17(4-8(20)21)7(19)3-18-6-16-9-10(13)14-5-15-11(9)18/h5-6H,1-4,12H2,(H,20,21)(H2,13,14,15)/p+1 |
| InChIKey | InChI | 1.03 | DUMWERDMQQCWPO-UHFFFAOYSA-O |
