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Summary

Name:N-METHYL-META-CHLORO-TYROSINE
Synonyms:N-METHYL-3-CHLORO-TYROSINE
Formula:C10 H12 Cl N O3
Formal charge:0
Molecular weight:229.66 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-chloro-N-methyl-L-tyrosine
OpenEye OEToolkits1.5.0(2S)-3-(3-chloro-4-hydroxy-phenyl)-2-methylamino-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(ccc1O)CC(C(=O)O)NC
SMILES_CANONICALCACTVS3.341CN[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O
SMILESCACTVS3.341CN[CH](Cc1ccc(O)c(Cl)c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CN[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O
SMILESOpenEye OEToolkits1.5.0CNC(Cc1ccc(c(c1)Cl)O)C(=O)O
InChIInChI1.03InChI=1S/C10H12ClNO3/c1-12-8(10(14)15)5-6-2-3-9(13)7(11)4-6/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyInChI1.03OSKAMZCUXJHCPJ-QMMMGPOBSA-N