PDB Chemical Component DVA

Ideal Model

Chemical Description

Name D-VALINE
Formula C5 H11 N O2
Formal charge 0
Molecular weight 117.146 g/mol
Component type D-PEPTIDE LINKING

Chemical features

Atom count 19
Chiral atom count 1
Chiral atoms CA
Observed leaving atoms OXT H2 HXT
Bond count 18
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) D-valine
Systematic name (OpenEye OEToolkits) (2R)-2-amino-3-methyl-butanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) CC(C)[C@@H](N)C(O)=O
SMILES (CACTVS) CC(C)[CH](N)C(O)=O
Stereo SMILES (OpenEye) CC(C)[C@H](C(=O)O)N
InChI descriptor InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1/f/h7H
InChIKey descriptor KZSNJWFQEVHDMF-HWFVJUDGDJ

Status Information

Last modified 2009-01-07
Created 1999-07-08
Release status REL
Model PDB code 1A7Y
Processing site EBI