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Details

Stereochemistry ABSOLUTE
Molecular Formula C3H4F3NO2
Molecular Weight 143.0646
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIFLUOROALANINE

SMILES

N[C@H](C(O)=O)C(F)(F)F

InChI

InChIKey=HMJQKIDUCWWIBW-PVQJCKRUSA-N
InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m1/s1

HIDE SMILES / InChI

Molecular Formula C3H4F3NO2
Molecular Weight 143.0646
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Design of radical-resistant amino acid residues: a combined theoretical and experimental investigation.
2003 Apr 9
Highly stereoselective tandem aza-Michael addition-enolate protonation to form partially modified retropeptide mimetics incorporating a trifluoroalanine surrogate.
2003 May 9
Suicide inhibition of alpha-oxamine synthases: structures of the covalent adducts of 8-amino-7-oxononanoate synthase with trifluoroalanine.
2006 Apr 7
A novel route to dipeptides via noncondensation of amino acids: 2-aminoperfluoropropene as a synthon for trifluoroalanine dipeptides.
2006 Mar 2
Methyltrifluoropyruvate imines possessing N-oxalyl and N-phosphonoformyl groups--precursors to a variety of alpha-CF3-alpha-amino acid derivatives.
2006 Oct 7
The role of fluorine in the stereoselective tandem aza-Michael addition to acrylamide acceptors: an experimental and theoretical mechanistic study.
2007
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:47:24 GMT 2023
Edited
by admin
on Sat Dec 16 11:47:24 GMT 2023
Record UNII
NT6AV26MM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIFLUOROALANINE
Systematic Name English
3,3,3-TRIFLUORO-L-ALANINE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
241-478-2
Created by admin on Sat Dec 16 11:47:24 GMT 2023 , Edited by admin on Sat Dec 16 11:47:24 GMT 2023
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PUBCHEM
87122
Created by admin on Sat Dec 16 11:47:24 GMT 2023 , Edited by admin on Sat Dec 16 11:47:24 GMT 2023
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FDA UNII
NT6AV26MM7
Created by admin on Sat Dec 16 11:47:24 GMT 2023 , Edited by admin on Sat Dec 16 11:47:24 GMT 2023
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CAS
127127-25-7
Created by admin on Sat Dec 16 11:47:24 GMT 2023 , Edited by admin on Sat Dec 16 11:47:24 GMT 2023
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CAS
17463-43-3
Created by admin on Sat Dec 16 11:47:24 GMT 2023 , Edited by admin on Sat Dec 16 11:47:24 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID40938535
Created by admin on Sat Dec 16 11:47:24 GMT 2023 , Edited by admin on Sat Dec 16 11:47:24 GMT 2023
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DRUG BANK
DB03794
Created by admin on Sat Dec 16 11:47:24 GMT 2023 , Edited by admin on Sat Dec 16 11:47:24 GMT 2023
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