| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C=O |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)NC(Cc1ccccc1)C=O)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C17H24N2O3/c1-12(2)9-16(18-13(3)21)17(22)19-15(11-20)10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t15-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | QRDDFQYJOFVDNR-HOTGVXAUSA-N |
