OMZ

(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE

Created: 2010-08-06
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 OMZ

Chemical Component Summary

Name(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE
Systematic Name (OpenEye OEToolkits)(2R,3R)-2-amino-3-(3-chloro-4-hydroxy-phenyl)-3-hydroxy-propanoic acid
FormulaC9 H10 Cl N O4
Molecular Weight231.633
TypeD-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc1cc(ccc1O)C(O)C(C(=O)O)N
SMILESCACTVS3.352N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O
SMILESOpenEye OEToolkits1.6.1c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O
Canonical SMILESCACTVS3.352 N[C@H]([C@H](O)c1ccc(O)c(Cl)c1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.6.1 c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O
InChIInChI1.03 InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1
InChIKeyInChI1.03 BACZBJKOFPGENQ-HTQZYQBOSA-N

Related Resource References

Resource NameReference
PubChem 101932982