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TFB-TBOA

CAT: 0931-T23454-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T23454-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
480439-73-4
Target
Others, transporter
Related Pathways
Others, Metabolism
Bioactivity
Glial glutamate transporter EAAT1 and EAAT2 inhibitor
Smiles
N[C@@H]([C@H](OCc1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O)C(O)=O
Molecular Formula
C19H17F3N2O6
Molecular Weight
426.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tfb-tboa
CAS Number480439-73-4
PubChem CID52941382
IUPAC Name(2S,3S)-2-amino-3-[[3-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methoxy]butanedioic acid
Molecular FormulaC19H17F3N2O6
Molecular Weight426.3
XLogP-0.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity622
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C19H17F3N2O6/c20-19(21,22)12-6-4-11(5-7-12)16(25)24-13-3-1-2-10(8-13)9-30-15(18(28)29)14(23)17(26)27/h1-8,14-15H,9,23H2,(H,24,25)(H,26,27)(H,28,29)/t14-,15-/m0/s1
InChIKey
LPWONNPEPDHEAI-GJZGRUSLSA-N
Chemical Structure
2D Structure
2D structure of Tfb-tboa
CAS: 480439-73-4
CID: 52941382
Formula: C19H17F3N2O6
MW: 426.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.3
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass426.10387075
Monoisotopic Mass426.10387075
Topological Polar Surface Area139 Ų
Heavy Atom Count30
Formal Charge0
Complexity622
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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