| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5O5/c13-7-5-22-6-8(7)17(4-11(19)20)10(18)3-16-2-1-9(14)15-12(16)21/h1-2,7-8H,3-6,13H2,(H,19,20)(H2,14,15,21)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | SSCQFEZTHMEZLU-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1COC[C@@H]1N(CC(O)=O)C(=O)CN2C=CC(=NC2=O)N |
| SMILES | CACTVS | 3.385 | N[CH]1COC[CH]1N(CC(O)=O)C(=O)CN2C=CC(=NC2=O)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H](CO1)N(CC(=O)O)C(=O)CN2C=CC(=NC2=O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(CO1)N(CC(=O)O)C(=O)CN2C=CC(=NC2=O)N)N |
