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Glutathione palmitamide

CAT: 0931-T71441-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71441-01Size:25 mg
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CAS Number
110995-58-9
Target
Others
Related Pathways
Others
Bioactivity
Glutathione palmitamide is a hydrophilic derivative of the protein tyrosine phosphatase inhibitor phenylarsine oxide (PAO) . It inhibits angiogenesis and tumour growth.
Smiles
[C@@H](CCC(N[C@H](C(NCC(O)=O)=O)CS)=O)(NC(CCCCCCCCCCCCCCC)=O)C(O)=O
Molecular Formula
C26H47N3O7S
Molecular Weight
545.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Glutathione palmitamide
CAS Number110995-58-9
PubChem CID14128697
IUPAC Name(2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
Molecular FormulaC26H47N3O7S
Molecular Weight545.7
XLogP5.4
Topological Polar Surface Area163
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count24
Heavy Atom Count37
Formal Charge0
Complexity691
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
InChI
InChI=1S/C26H47N3O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(30)28-20(26(35)36)16-17-23(31)29-21(19-37)25(34)27-18-24(32)33/h20-21,37H,2-19H2,1H3,(H,27,34)(H,28,30)(H,29,31)(H,32,33)(H,35,36)/t20-,21-/m0/s1
InChIKey
OPZUFCSODCAIIR-SFTDATJTSA-N
Chemical Structure
2D Structure
2D structure of Glutathione palmitamide
CAS: 110995-58-9
CID: 14128697
Formula: C26H47N3O7S
MW: 545.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight545.7
XLogP35.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count24
Exact Mass545.31347202
Monoisotopic Mass545.31347202
Topological Polar Surface Area163 Ų
Heavy Atom Count37
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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