PDB Chemical Component CLE

Ideal Model

Chemical Description

Name LEUCINE AMIDE
Formula C6 H14 N2 O
Formal charge 0
Molecular weight 130.188 g/mol
Component type L-PEPTIDE LINKING
Nonstandard Parent Id LEU

Chemical features

Atom count 23
Chiral atom count 1
Chiral atoms CA
Observed leaving atoms H2
Bond count 22
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) L-leucinamide
Systematic name (OpenEye OEToolkits) (2S)-2-amino-4-methyl-pentanamide

Chemical Descriptors

Stereo SMILES (CACTVS) CC(C)C[C@H](N)C(N)=O
SMILES (CACTVS) CC(C)C[CH](N)C(N)=O
Stereo SMILES (OpenEye) CC(C)C[C@@H](C(=O)N)N
InChI descriptor InChI=1/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1/f/h8H2
InChIKey descriptor FORGMRSGVSYZQR-WOIGERFODY

Status Information

Last modified 2009-01-07
Created 1999-10-12
Release status REL
Model PDB code 1D5Z
Processing site EBI