A30

O-ethyl-L-tyrosine

Created: 2021-11-04
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count1
Bond Count30
Aromatic Bond Count6
2D diagram of A30

Chemical Component Summary

NameO-ethyl-L-tyrosine
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-3-(4-ethoxyphenyl)propanoic acid
FormulaC11 H15 N O3
Molecular Weight209.242
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CCOc1ccc(cc1)CC(N)C(=O)O
SMILESCACTVS3.385CCOc1ccc(C[CH](N)C(O)=O)cc1
SMILESOpenEye OEToolkits2.0.7CCOc1ccc(cc1)CC(C(=O)O)N
Canonical SMILESCACTVS3.385 CCOc1ccc(C[C@H](N)C(O)=O)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 CCOc1ccc(cc1)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyInChI1.03 RMYPEYHEPIZYDJ-JTQLQIEISA-N

Related Resource References

Resource NameReference
PubChem 11275812, 36690061