Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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N-acetyl-D-Phenyl Alanine

N-acetyl-D-Phenyl synonyms

N-Acetyl-D-phenylalanine; N-Acetyl-3-phenyl-D-alanine


Graphical representations:


View large 3D structure

Molecular Formula: C11H13NO3

Natural Isotopic Abundance Mass: 207.22582

Mono-Isotopic Molecular Masses:

  • C12N14: 207.0895432888
  • C13N14: 218.1264465046
  • C12N15: 208.086578182
  • C13N15: 219.1234813978

InChI string: InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m1/s1

PubChem Compound (CID): 101184
CAS Registry number: 10172-89-1
Sigma-Aldrich: A3876_SIGMA
ChemIDplus: 010172891
ChemSpider: 91422
EINECS: 233-447-7
KEGG Compound ID: C05620
MMCD: cq_03153
MDL: MFCD00002664

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,