MSL

(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID

Created:	2005-09-27
Last modified:	2021-03-01

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3 entries where MSL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

2D diagram of MSL

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Chemical Component Summary
Name	(2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID
Synonyms	METHIONINE SULFOXIMINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid
Formula	C₅ H₁₂ N₂ O₃ S
Molecular Weight	180.225
Type	L-PEPTIDE LINKING

Chemical Descriptors
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
InChI	InChI	1.03	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
InChIKey	InChI	1.03	SXTAYKAGBXMACB-AUIPBDMJSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB14103
Name	Methionine sulfoximine
Groups	experimental
Synonyms	BUTANOIC ACID, 2-AMINO-4-(S-METHYLSULFONIMIDOYL)-, (2S)- METHIONINE-DL-SULFOXIMINE, L- L-methionine sulfoximine (2S)-2-Amino-4-(S-methylsufonimidoyl)butanoic acid L-Methionine-S,R-sulfoximine METHIONINE-DL-SULFOXIMINE Methionine sulfoximine
Brand Names	Mic B12 Lipovite
Categories	Amino Acids Amino Acids, Peptides, and Proteins Amino Acids, Sulfur Sulfur Compounds
CAS number	15985-39-4

Related Resource References

Resource Name	Reference
PubChem	24755488, 42554906
ChEMBL	CHEMBL3397516
ChEBI	CHEBI:28227

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.