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-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide bmse011771 - Data

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide synonyms

Wikipedia:

Graphical representations:

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide

View large 3D structure

Molecular Formula: C14H19N3O

Natural Isotopic Abundance Mass: 245.32015999999993

Mono-Isotopic Molecular Masses:

  • C12N14: 245.152812243
  • C13N14: 259.19977997500007
  • C12N15: 248.14391692200002
  • C13N15: 262.19088465400006

InChI string: InChI=1S/C14H19N3O/c1-9(15-13(18)14(2,3)4)12-16-10-7-5-6-8-11(10)17-12/h5-9H,1-4H3,(H,15,18)(H,16,17)/t9-/m1/s1

EU-OPENSCREEN: EOS102468

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)