OMX

(betaR)-beta-hydroxy-L-Tyrosine

Created: 2010-08-10
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count2
Bond Count25
Aromatic Bond Count6
2D diagram of OMX

Chemical Component Summary

Name(betaR)-beta-hydroxy-L-Tyrosine
Systematic Name (OpenEye OEToolkits)(2S,3R)-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid
FormulaC9 H11 N O4
Molecular Weight197.188
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C(N)C(O)c1ccc(O)cc1
SMILESCACTVS3.370N[CH]([CH](O)c1ccc(O)cc1)C(O)=O
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1C(C(C(=O)O)N)O)O
Canonical SMILESCACTVS3.370 N[C@@H]([C@H](O)c1ccc(O)cc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O
InChIInChI1.03 InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1
InChIKeyInChI1.03 RKCRKDKQUDBXAU-JGVFFNPUSA-N

Related Resource References

Resource NameReference
PubChem 90659353, 10878091