8NW
5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide
Created: | 2017-02-14 |
Last modified: | 2017-11-01 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 1 |
Bond Count | 37 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide |
Systematic Name (OpenEye OEToolkits) | 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide |
Formula | C11 H21 N O2 S2 |
Molecular Weight | 263.42 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OCCCNC(=O)CCCC[CH]1CCSS1 |
SMILES | OpenEye OEToolkits | 2.0.6 | C1CSSC1CCCCC(=O)NCCCO |
Canonical SMILES | CACTVS | 3.385 | OCCCNC(=O)CCCC[C@H]1CCSS1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C1CSS[C@H]1CCCCC(=O)NCCCO |
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 |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 96544742 |