BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide

(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide bmse012314 - Data

(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide synonyms

Wikipedia:

Graphical representations:

(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole

View large 3D structure

Molecular Formula: C6H11NO2S

Natural Isotopic Abundance Mass: 161.22204

Mono-Isotopic Molecular Masses:

  • C12N14: 161.051049597
  • C13N14: 167.07117862500002
  • C12N15: 162.04808449
  • C13N15: 168.06821351800002

InChI string: InChI=1S/C6H11NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h5-7H,1-4H2/t5-,6+

EU-OPENSCREEN: EOS103057

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)