![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
MSL : Summary
Code ![](/pdbe/static/images/help.png)
|
MSL
|
One-letter code ![](/pdbe/static/images/help.png)
|
M
|
Molecule name ![](/pdbe/static/images/help.png)
|
(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID
|
Synonyms ![](/pdbe/static/images/help.png)
|
METHIONINE SULFOXIMINE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C5 H12 N2 O3 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
180.225 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=S(=N)(C)CCC(C(=O)O)N |
SMILES
|
CACTVS |
3.341 |
C[S](=N)(=O)CC[CH](N)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CS(=N)(=O)CCC(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
C[S](=N)(=O)CC[C@H](N)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C[S@](=N)(=O)CC[C@@H](C(=O)O)N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/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 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SXTAYKAGBXMACB-AUIPBDMJSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
23 (11 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
L-PEPTIDE LINKING
|
Type code ![](/pdbe/static/images/help.png)
|
ATOMP
|
Is modified ![](/pdbe/static/images/help.png)
|
Yes
|
Standard parent ![](/pdbe/static/images/help.png)
|
MET
|
Defined at ![](/pdbe/static/images/help.png)
|
2005-09-27
|
Last modified at ![](/pdbe/static/images/help.png)
|
2021-03-01
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|