| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(N)C(=O)Nc2ccc(OCc1ccccc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |
| SMILES | CACTVS | 3.341 | N[CH](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COc2ccc(cc2)NC(=O)C(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O4/c18-15(10-16(20)21)17(22)19-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9,15H,10-11,18H2,(H,19,22)(H,20,21)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | VTMSXGVEMJOFRJ-HNNXBMFYSA-N |
