| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(c1ccc2n(C)c(CO)nc2c1)N1CCC(C)C(C1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C17H21N3O4/c1-10-5-6-20(8-12(10)17(23)24)16(22)11-3-4-14-13(7-11)18-15(9-21)19(14)2/h3-4,7,10,12,21H,5-6,8-9H2,1-2H3,(H,23,24)/t10-,12+/m1/s1 |
| InChIKey | InChI | 1.06 | MSAKLWZGMAUWCQ-PWSUYJOCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCN(C[C@@H]1C(O)=O)C(=O)c2ccc3n(C)c(CO)nc3c2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCN(C[CH]1C(O)=O)C(=O)c2ccc3n(C)c(CO)nc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1CCN(C[C@@H]1C(=O)O)C(=O)c2ccc3c(c2)nc(n3C)CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CCN(CC1C(=O)O)C(=O)c2ccc3c(c2)nc(n3C)CO |
