| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1(CCCN(C1)C(=O)c1ccc(NC(=O)NC)cc1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C16H21N3O4/c1-16(14(21)22)8-3-9-19(10-16)13(20)11-4-6-12(7-5-11)18-15(23)17-2/h4-7H,3,8-10H2,1-2H3,(H,21,22)(H2,17,18,23)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | WCQGERFLIQLVSJ-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)Nc1ccc(cc1)C(=O)N2CCC[C@@](C)(C2)C(O)=O |
| SMILES | CACTVS | 3.385 | CNC(=O)Nc1ccc(cc1)C(=O)N2CCC[C](C)(C2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@]1(CCCN(C1)C(=O)c2ccc(cc2)NC(=O)NC)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1(CCCN(C1)C(=O)c2ccc(cc2)NC(=O)NC)C(=O)O |
