T11

4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-3-YL]-L-PHENYLALANINE

Created:2007-06-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count32
Aromatic Bond Count6
2D diagram of T11

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Chemical Component Summary

Name4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-3-YL]-L-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-[4-[3-(trifluoromethyl)-1,2-diaziridin-3-yl]phenyl]propanoic acid
FormulaC11 H12 F3 N3 O2
Molecular Weight275.227
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)Cc1ccc(cc1)C2(NN2)C(F)(F)F
SMILESCACTVS3.341N[CH](Cc1ccc(cc1)C2(NN2)C(F)(F)F)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CC(C(=O)O)N)C2(NN2)C(F)(F)F
Canonical SMILESCACTVS3.341 N[C@@H](Cc1ccc(cc1)C2(NN2)C(F)(F)F)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F
InChIInChI1.03 InChI=1S/C11H12F3N3O2/c12-11(13,14)10(16-17-10)7-3-1-6(2-4-7)5-8(15)9(18)19/h1-4,8,16-17H,5,15H2,(H,18,19)/t8-/m0/s1
InChIKeyInChI1.03 XCRAOXMHVJUSSJ-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 24764429