TOZ

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid

Created:2018-06-04
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count10
2D diagram of TOZ

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Chemical Component Summary

Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
FormulaC8 H7 N3 O3 S
Molecular Weight225.224
TypePEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385NCc1scc(n1)c2occ(n2)C(O)=O
SMILESOpenEye OEToolkits2.0.6c1c(nc(o1)c2csc(n2)CN)C(=O)O
Canonical SMILESCACTVS3.385 NCc1scc(n1)c2occ(n2)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 c1c(nc(o1)c2csc(n2)CN)C(=O)O
InChIInChI1.03 InChI=1S/C8H7N3O3S/c9-1-6-10-5(3-15-6)7-11-4(2-14-7)8(12)13/h2-3H,1,9H2,(H,12,13)
InChIKeyInChI1.03 PULCVIHVEVCGJR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 54208787