LABA

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 30
Total Number of Articles : 185
PubChem 43043
Molecular Formula

C12H21NO3S2

SMILES

C1CSSC1CCCCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H21NO3S2/c14-11(13-8-3-6-12(15)16)5-2-1-4-10-7-9-17-18-10/h10H,1-9H2,(H,13,14)(H,15,16)

synonyms
  • 59547-52-3
  • 4-((5-(1,2-Dithiolan-3-yl)-1-oxopentyl)amino)butanoic acid
  • LABA
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Properties
Property Value
MW 291.4 g/mol
HBD 2
HBA 5
Rotatable Bond Count 9
Exact Mass 291.09628588 g/mol
Monoisotopic Mass 291.09628588 g/mol
Heavy Atom Count 18
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 274
xlogp 1.3
Topological Polar Surface Area 117