Buthionine Sulfoximine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 347
Total Number of Articles : 530
PubChem 21157
Molecular Formula

C8H18N2O3S

SMILES

CCCCS(=N)(=O)CCC(C(=O)O)N

InChI

InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)

synonyms
  • 5072-26-4
  • BUTHIONINE SULFOXIMINE
  • DL-Buthionine-[S,R]-sulfoximine
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Properties
Property Value
MW 222.31 g/mol
HBD 3
HBA 5
Rotatable Bond Count 7
Exact Mass 222.10381361 g/mol
Monoisotopic Mass 222.10381361 g/mol
Heavy Atom Count 14
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 284
xlogp -0.6
Topological Polar Surface Area 113