HIX

3-(1H-1,2,3-triazol-5-yl)-L-alanine

Created:2015-05-26
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count1
Bond Count19
Aromatic Bond Count5
2D diagram of HIX

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Chemical Component Summary

Name3-(1H-1,2,3-triazol-5-yl)-L-alanine
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3-(1H-1,2,3-triazol-5-yl)propanoic acid
FormulaC5 H8 N4 O2
Molecular Weight156.143
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(C(O)=O)Cc1nnnc1
SMILESCACTVS3.385N[CH](Cc1[nH]nnc1)C(O)=O
SMILESOpenEye OEToolkits1.7.6c1c([nH]nn1)CC(C(=O)O)N
Canonical SMILESCACTVS3.385 N[C@@H](Cc1[nH]nnc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 c1c([nH]nn1)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1
InChIKeyInChI1.03 YCHNJQXUYMPHNB-BYPYZUCNSA-N

Related Resource References

Resource NameReference
PubChem 57364739