PDB Chemical Component MSL

Ideal Model

Chemical Description

Name (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID
Synonyms METHIONINE SULFOXIMINE
Formula C5 H12 N2 O3 S
Formal charge 0
Molecular weight 180.225 g/mol
Component type L-PEPTIDE LINKING
Nonstandard Parent Id MET

Chemical features

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

Chemical Identifiers

Systematic name (ACDLabs) (2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid
Systematic name (OpenEye OEToolkits) (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) C[S](=N)(=O)CC[C@H](N)C(O)=O
SMILES (CACTVS) C[S](=N)(=O)CC[CH](N)C(O)=O
Stereo SMILES (OpenEye) C[S@](=N)(=O)CC[C@@H](C(=O)O)N
InChI descriptor InChI=1/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11-/m0/s1/f/h8H
InChIKey descriptor SXTAYKAGBXMACB-NVXWTYNNDV

Status Information

Last modified 2009-01-07
Created 2005-09-27
Release status REL
Model PDB code 2D3B
Processing site RCSB