S-benzyl-N-malonylcysteine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 140
Total Number of Articles : 109
PubChem 126104
Molecular Formula

C13H15NO5S

SMILES

C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)CC(=O)O

InChI

InChI=1S/C13H15NO5S/c15-11(6-12(16)17)14-10(13(18)19)8-20-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1

synonyms
  • S-Benzyl-N-malonylcysteine
  • S-BMC
  • 134283-03-7
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Properties
Property Value
MW 297.33 g/mol
HBD 3
HBA 6
Rotatable Bond Count 8
Exact Mass 297.06709375 g/mol
Monoisotopic Mass 297.06709375 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 355
xlogp 1
Topological Polar Surface Area 129