BMRB

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

Ala-Ala synonyms

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

Wikipedia:

Graphical representations:

Ala-Ala image

Molecular Formula: C6 H12 N2 O3

Natural Isotopic Abundance Mass: 160.17108

Mono-Isotopic Molecular Masses:

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

InCHi String:

canonical SMILES: CC(C(=O)NC(C)C(=O)O)N

isomeric SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)N

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid

PUBCHEM iupac TRADITIONAL NAME
(2S)-2-(alanylamino)propionic acid

PUBCHEM iupac CAS NAME
(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]propanoic acid

PubChem Substance (SID):   85165195   24891459   674003
PubChem Compound (CID):   5484352
KEGG: Compound ID   n/a
CAS Registry IDs:   1948-31-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich A9502_SIGMA   ChemIDplus 001948318   ChemSpider 4588478   EINECS 217-751-7   SMID ALA-ALA

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.