BMRB

Biological Magnetic Resonance Data Bank


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

N-(cyclopentylcarbamoyl)-2-methylsulfanylacetamide

N-(cyclopentylcarbamoyl)-2-methylsulfanylacetamide bmse011821 - Data

N-(cyclopentylcarbamoyl)-2-methylsulfanylacetamide synonyms

Wikipedia:

Graphical representations:

N-(cyclopentylcarbamoyl)-2-methylsulfanylacetamide

View large 3D structure

Molecular Formula: C9H16N2O2S

Natural Isotopic Abundance Mass: 216.30053999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 216.093248762
  • C13N14: 225.12344230400004
  • C12N15: 218.087318548
  • C13N15: 227.11751209000005

InChI string: InChI=1S/C9H16N2O2S/c1-14-6-8(12)11-9(13)10-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,10,11,12,13)

EU-OPENSCREEN: EOS102521

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)