N-Acetyl-3-(nitrosulfanyl)-L-valine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 5
PubChem 23573700
Molecular Formula

C7H12N2O5S

SMILES

CC(=O)N[C@H](C(=O)O)C(C)(C)S[N+](=O)[O-]

InChI

InChI=1S/C7H12N2O5S/c1-4(10)8-5(6(11)12)7(2,3)15-9(13)14/h5H,1-3H3,(H,8,10)(H,11,12)/t5-/m1/s1

synonyms
  • N-Acetyl-3-(nitrosulfanyl)-L-valine
  • 168207-37-2
  • S-nitro-N-acetylpenicillamine
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Properties
Property Value
MW 236.25 g/mol
HBD 2
HBA 6
Rotatable Bond Count 4
Exact Mass 236.04669266 g/mol
Monoisotopic Mass 236.04669266 g/mol
Heavy Atom Count 15
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 286
xlogp 0.2
Topological Polar Surface Area 138