FLT

FLUOROMALONYL TYROSINE

Created:1999-08-25
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count1
Bond Count33
Aromatic Bond Count6
2D diagram of FLT

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Chemical Component Summary

NameFLUOROMALONYL TYROSINE
Systematic Name (OpenEye OEToolkits)2-[4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]phenoxy]-2-fluoro-propanedioic acid
FormulaC12 H12 F N O7
Molecular Weight301.225
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O
SMILESCACTVS3.341N[CH](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CC(C(=O)O)N)OC(C(=O)O)(C(=O)O)F
Canonical SMILESCACTVS3.341 N[C@@H](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F
InChIInChI1.03 InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1
InChIKeyInChI1.03 AXIAXCQZCZMCQW-QMMMGPOBSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL431555
PubChem 10638003
ChEMBL CHEMBL431555