| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N(C(OCc1ccccc1)=O)C(Cc2ccccc2)C(=O)NC(CCS(c3ccccc3)(=O)=O)Cc4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C33H34N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-20,29,31H,21-25H2,(H,34,36)(H,35,37)/t29-,31+/m1/s1 |
| InChIKey | InChI | 1.03 | RLNXSKBHINXQAP-VEEOACQBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC[S](=O)(=O)c2ccccc2)Cc3ccccc3)OCc4ccccc4 |
| SMILES | CACTVS | 3.385 | O=C(N[CH](Cc1ccccc1)C(=O)N[CH](CC[S](=O)(=O)c2ccccc2)Cc3ccccc3)OCc4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](CCS(=O)(=O)c2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(CCS(=O)(=O)c2ccccc2)NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4 |
