8NW
Summary
| Name: | 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide |
| Formula: | C11 H21 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 263.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO2S2/c13-8-3-7-12-11(14)5-2-1-4-10-6-9-15-16-10/h10,13H,1-9H2,(H,12,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | QPQPASXMSHOHIW-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCNC(=O)CCCC[C@H]1CCSS1 |
| SMILES | CACTVS | 3.385 | OCCCNC(=O)CCCC[CH]1CCSS1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CSS[C@H]1CCCCC(=O)NCCCO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CSSC1CCCCC(=O)NCCCO |
