種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20) |
InChIKey | InChI | 1.03 | RVSHKKVKYZTEOC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O |
SMILES | CACTVS | 3.385 | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O |