BMRB

Biological Magnetic Resonance Data Bank


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

2-(1H-benzimidazol-2-ylsulfanyl)-N-(methylcarbamoyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(methylcarbamoyl)acetamide bmse012450 - Data

2-(1H-benzimidazol-2-ylsulfanyl)-N-(methylcarbamoyl)acetamide synonyms

Wikipedia:

Graphical representations:

2-(1H-benzimidazol-2-ylsulfanyl)-N-(methylcarbamoyl)acetamide

View large 3D structure

Molecular Formula: C11H12N4O2S

Natural Isotopic Abundance Mass: 264.30358

Mono-Isotopic Molecular Masses:

  • C12N14: 264.068096644
  • C13N14: 275.10499986200006
  • C12N15: 268.056236216
  • C13N15: 279.0931394340001

InChI string: InChI=1S/C11H12N4O2S/c1-12-10(17)15-9(16)6-18-11-13-7-4-2-3-5-8(7)14-11/h2-5H,6H2,1H3,(H,13,14)(H2,12,15,16,17)

EU-OPENSCREEN: EOS103210

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)