BUTHIONINE SULFOXIMINE

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Synonyms
Status
Molecule Category Free-form
UNII LW4108Q0BV

Structure

InChI Key WDFRNLYXRQXXFS-CVSPRKDYSA-N
Smiles CCCC[S+](=N)([O-])CC[C@H](N)C(=O)O
InChI
InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7H,2-6,9H2,1H3,(H2-,10,11,12,13)/t7-,14?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18N2O3S
Molecular Weight 222.31
AlogP 0.64
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 104.24
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Ligase
- - - - 9.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - - - 9.7

Cross References

Resources Reference
ChEMBL CHEMBL1609891
FDA SRS LW4108Q0BV
PubChem 21157
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