bmse000466 DL-beta-leucine at BMRB

DL-beta-leucine

3-Amino-4-methylpentanoic acid; Pentanoic acid, 3-amino-4-methyl-; ()-3-Amino-4-methylvaleric acid; beta-Leucine; ()-3-Amino-4-methylpentanoic acid; DL-beta-Leucine

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

DL-beta-leucine

InCHi String:
InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)

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.