8NT

3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid

Created:2017-02-14
Last modified:  2017-11-01

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count1
Bond Count40
Aromatic Bond Count0
2D diagram of 8NT

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Chemical Component Summary

Name3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid
FormulaC11 H21 N O4 S3
Molecular Weight327.484
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[S](=O)(=O)CCCNC(=O)CCCC[CH]1CCSS1
SMILESOpenEye OEToolkits2.0.6C1CSSC1CCCCC(=O)NCCCS(=O)(=O)O
Canonical SMILESCACTVS3.385 O[S](=O)(=O)CCCNC(=O)CCCC[C@H]1CCSS1
Canonical SMILESOpenEye OEToolkits2.0.6 C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O
InChIInChI1.03 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
InChIKeyInChI1.03 SZYIEKXYLQGLFW-JTQLQIEISA-N

Related Resource References

Resource NameReference
PubChem 131750114