BMRB

Biological Magnetic Resonance Data Bank


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

1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea

1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea bmse012433 - Data

1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea synonyms

Wikipedia:

Graphical representations:

1-[(1S)-1-phenylethyl]-3-pyridin-3-ylurea

View large 3D structure

Molecular Formula: C14H15N3O

Natural Isotopic Abundance Mass: 241.28839999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 241.121512115
  • C13N14: 255.16847984700007
  • C12N15: 244.11261679400002
  • C13N15: 258.15958452600006

InChI string: InChI=1S/C14H15N3O/c1-11(12-6-3-2-4-7-12)16-14(18)17-13-8-5-9-15-10-13/h2-11H,1H3,(H2,16,17,18)/t11-/m0/s1

EU-OPENSCREEN: EOS103190

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)