| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C19H35N3O4S/c1-4-5-6-8-15(11-21(26)13-23)18(24)20-17(14(2)3)19(25)22-10-7-9-16(22)12-27/h13-17,26-27H,4-12H2,1-3H3,(H,20,24)/t15-,16?,17+/m1/s1 |
| InChIKey | InChI | 1.06 | KKQZXQHPCTWHGR-SKQWJGTPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](CN(O)C=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1CS |
| SMILES | CACTVS | 3.385 | CCCCC[CH](CN(O)C=O)C(=O)N[CH](C(C)C)C(=O)N1CCCC1CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC[C@H](CN(C=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC(CN(C=O)O)C(=O)NC(C(C)C)C(=O)N1CCCC1CS |
