BMRB

Biological Magnetic Resonance Data Bank


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

DL-beta-leucine

Graphical representations:

DL-beta-leucine image

Molecular Formula: C6 H13 N O2

Natural Isotopic Abundance Mass: 131.17292

Mono-Isotopic Molecular Masses:

  • C12N14: 131.0946286667
  • C13N14: 137.1147576935
  • C12N15: 132.0916635599
  • C13N15: 138.1117925867

InCHi String:

canonical and isomeric SMILES: CC(C)C(CC(=O)O)N

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
3-amino-4-methylpentanoic acid

PUBCHEM iupac TRADITIONAL NAME
3-amino-4-methyl-valeric acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
3-amino-4-methyl-pentanoic acid

PubChem Substance (SID):   85165253   24850830   770769
PubChem Compound (CID):   193411
KEGG: Compound ID   n/a
CAS Registry IDs:   5699-54-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 17988_FLUKA   ChemIDplus 005699547   ChemSpider 167837   ChemDB 4718777

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.