TYS

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Summary

Name:O-SULFO-L-TYROSINE
Formula:C9 H11 N O6 S
Formal charge:0
Molecular weight:261.252 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01O-sulfo-L-tyrosine
OpenEye OEToolkits1.7.6(2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1
InChIInChI1.03InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1
InChIKeyInChI1.03CIQHWLTYGMYQQR-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.370N[C@@H](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O
SMILESCACTVS3.370N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O
170383
PDB entries from 2020-10-28