| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C(NO)=O)(C(C)(C)N)NC(=O)c1ccc(OCC#CC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | JPCUWLVKAJJSLN-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N |
| SMILES | CACTVS | 3.385 | CC#CCOc1ccc(cc1)C(=O)N[CH](C(=O)NO)C(C)(C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC#CCOc1ccc(cc1)C(=O)NC(C(=O)NO)C(C)(C)N |
