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TY5

Summary
Name:O-benzyl-L-tyrosine
Formula:C16 H17 N O3
Formal charge:0
Formula weight:271.311 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01O-benzyl-L-tyrosine
OpenEye OEToolkits1.7.0(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2
SMILES_CANONICALCACTVS3.370N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
SMILESCACTVS3.370N[CH](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)COc2ccc(cc2)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)COc2ccc(cc2)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1
InChIKeyInChI1.03KAFHLONDOVSENM-HNNXBMFYSA-N

218853

PDB entries from 2024-04-24

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