A1D7B
Summary
| Name: | ~{S}-(2-acetamidoethyl) (6~{S})-6-chloranyldecanethioate |
| Formula: | C14 H26 Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 307.88 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{S}-(2-acetamidoethyl) (6~{S})-6-chloranyldecanethioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H26ClNO2S/c1-3-4-7-13(15)8-5-6-9-14(18)19-11-10-16-12(2)17/h13H,3-11H2,1-2H3,(H,16,17)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | RVXSYHFIMKPVIW-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](Cl)CCCCC(=O)SCCNC(C)=O |
| SMILES | CACTVS | 3.385 | CCCC[CH](Cl)CCCCC(=O)SCCNC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H](CCCCC(=O)SCCNC(=O)C)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(CCCCC(=O)SCCNC(=O)C)Cl |
