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,2R)-2-hydroxycyclohexyl]-3-phenylurea

1-[(1S,2R)-2-hydroxycyclohexyl]-3-phenylurea bmse012280 - Data

1-[(1S,2R)-2-hydroxycyclohexyl]-3-phenylurea synonyms

Wikipedia:

Graphical representations:

1-[(1S,2R)-2-hydroxycyclohexyl]-3-phenylurea

View large 3D structure

Molecular Formula: C13H18N2O2

Natural Isotopic Abundance Mass: 234.29421999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 234.136827826
  • C13N14: 247.18044072000006
  • C12N15: 236.130897612
  • C13N15: 249.17451050600008

InChI string: InChI=1S/C13H18N2O2/c16-12-9-5-4-8-11(12)15-13(17)14-10-6-2-1-3-7-10/h1-3,6-7,11-12,16H,4-5,8-9H2,(H2,14,15,17)/t11-,12+/m0/s1

EU-OPENSCREEN: EOS103021

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)