| 種別 | プログラム | バージョン | 表記 |
| SMILES_CANONICAL | CACTVS | 3.352 | CCOC(=O)C1=C(O)c2cc(Oc3ccc(cc3)N(CC)CC)cnc2N(O)C1=O |
| SMILES | CACTVS | 3.352 | CCOC(=O)C1=C(O)c2cc(Oc3ccc(cc3)N(CC)CC)cnc2N(O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C3O)C(=O)OCC)O |
| InChI | InChI | 1.03 | InChI=1S/C21H23N3O6/c1-4-23(5-2)13-7-9-14(10-8-13)30-15-11-16-18(25)17(21(27)29-6-3)20(26)24(28)19(16)22-12-15/h7-12,25,28H,4-6H2,1-3H3 |
| InChIKey | InChI | 1.03 | ZAOGVQGDYHKJCT-UHFFFAOYSA-N |
