| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | QAINHNNAIDVCEZ-NRFANRHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C(SC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)SCC(C(=O)O)N |
