Biological Magnetic Resonance Data Bank

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


Ala-Ala synonyms

L-Alanyl-L-alanine; N-L-Alanyl-L-alanine; ALA-ALA


Graphical representations:


View large 3D structure

Molecular Formula: C6H12N2O3

Natural Isotopic Abundance Mass: 160.17108

Mono-Isotopic Molecular Masses:

  • C12N14: 160.0847922619
  • C13N14: 166.1049212887
  • C12N15: 162.0788620483
  • C13N15: 168.0989910751

InChI string: InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1

PubChem Compound (CID): 5484352
CAS Registry number: 1948-31-8
Sigma-Aldrich: A9502_SIGMA
ChemIDplus: 001948318
ChemSpider: 4588478
EINECS: 217-751-7

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,