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-(1,3-benzothiazol-2-ylmethyl)propanamide

N-(1,3-benzothiazol-2-ylmethyl)propanamide bmse012399 - Data

N-(1,3-benzothiazol-2-ylmethyl)propanamide synonyms

Wikipedia:

Graphical representations:

N-(1,3-benzothiazol-2-ylmethyl)propanamide

View large 3D structure

Molecular Formula: C11H12N2OS

Natural Isotopic Abundance Mass: 220.29077999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 220.067034014
  • C13N14: 231.10393723200005
  • C12N15: 222.0611038
  • C13N15: 233.09800701800006

InChI string: InChI=1S/C11H12N2OS/c1-2-10(14)12-7-11-13-8-5-3-4-6-9(8)15-11/h3-6H,2,7H2,1H3,(H,12,14)

EU-OPENSCREEN: EOS103152

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)