BMRB

Biological Magnetic Resonance Data Bank


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

EU-OPENSCREEN Compound 103362

EU-OPENSCREEN Compound 103362 bmse012567 - Data

EU-OPENSCREEN Compound 103362 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C10H18N2O2S

Natural Isotopic Abundance Mass: 230.32711999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 230.108898826
  • C13N14: 240.14244720600004
  • C12N15: 232.102968612
  • C13N15: 242.13651699200005

InChI string: InChI=1S/C10H18N2O2S/c1-11-9(13)12-8-2-4-14-10(6-8)3-5-15-7-10/h8H,2-7H2,1H3,(H2,11,12,13)/t8-,10+/m0/s1

EU-OPENSCREEN: EOS103362

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)