PDB Chemical Component 2DO

Ideal Model

Chemical Description

Name (2S)-2-AMINOHEXANE-1,1-DIOL
Formula C6 H15 N O2
Formal charge 0
Molecular weight 133.189 g/mol
Component type L-PEPTIDE LINKING

Chemical features

Atom count 24
Chiral atom count 1
Chiral atoms CA
Observed leaving atoms OXT H2 HXT
Bond count 23
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) (2S)-2-aminohexane-1,1-diol
Systematic name (OpenEye OEToolkits) (2S)-2-aminohexane-1,1-diol

Chemical Descriptors

Stereo SMILES (CACTVS) CCCC[C@H](N)C(O)O
SMILES (CACTVS) CCCC[CH](N)C(O)O
Stereo SMILES (OpenEye) CCCC[C@@H](C(O)O)N
InChI descriptor InChI=1/C6H15NO2/c1-2-3-4-5(7)6(8)9/h5-6,8-9H,2-4,7H2,1H3/t5-/m0/s1
InChIKey descriptor SUCLLBDDWGZXQQ-YFKPBYRVBS

Status Information

Last modified 2009-01-07
Created 2005-09-26
Release status REL
Processing site RCSB