| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-]C(=O)C3C1[NH2+]C(CC1)CC3OC(=O)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-]C(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c3ccccc3)[NH2+]2 |
| SMILES | CACTVS | 3.341 | [O-]C(=O)[CH]1[CH]2CC[CH](C[CH]1OC(=O)c3ccccc3)[NH2+]2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)OC2CC3CCC(C2C(=O)[O-])[NH2+]3 |
| InChI | InChI | 1.03 | InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | CMYJDRSCSOXYHG-QNWHQSFQSA-N |
