8NT
Summary
| Name: | 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid |
| Formula: | C11 H21 N O4 S3 |
| Formal charge: | 0 |
| Formula weight: | 327.484 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO4S3/c13-11(12-7-3-9-19(14,15)16)5-2-1-4-10-6-8-17-18-10/h10H,1-9H2,(H,12,13)(H,14,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | SZYIEKXYLQGLFW-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)CCCNC(=O)CCCC[C@H]1CCSS1 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)CCCNC(=O)CCCC[CH]1CCSS1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CSSC1CCCCC(=O)NCCCS(=O)(=O)O |
