| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(O)c2c1ccccc1n(c2)C(C)(C)C(O)C |
| InChI | InChI | 1.03 | InChI=1S/C16H22N2O4/c1-9(19)16(2,3)18-8-11(14(20)13(17)15(21)22)10-6-4-5-7-12(10)18/h4-9,13-14,19-20H,17H2,1-3H3,(H,21,22)/t9-,13+,14-/m1/s1 |
| InChIKey | InChI | 1.03 | KBGRLEDLMUJSBM-BIGNPOOSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)C(C)(C)n1cc([C@@H](O)[C@H](N)C(O)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | C[CH](O)C(C)(C)n1cc([CH](O)[CH](N)C(O)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C(C)(C)n1cc(c2c1cccc2)[C@H]([C@@H](C(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(C)(C)n1cc(c2c1cccc2)C(C(C(=O)O)N)O)O |
