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B1C

Summary
Name:N-(tert-butoxycarbonyl)-L-tyrosine
Synonyms:BOC-TYR
Formula:C14 H19 N O5
Formal charge:0
Formula weight:281.304 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(tert-butoxycarbonyl)-L-tyrosine
OpenEye OEToolkits2.0.6(2~{S})-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C
InChIInChI1.03InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyInChI1.03CNBUSIJNWNXLQQ-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
SMILESCACTVS3.385CC(C)(C)OC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O
SMILESOpenEye OEToolkits2.0.6CC(C)(C)OC(=O)NC(Cc1ccc(cc1)O)C(=O)O

223532

PDB entries from 2024-08-07

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