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BJH

Summary
Name:1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
Formula:C11 H14 B N O6
Formal charge:0
Formula weight:267.043 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]-2-hydroxybenzoic acid
OpenEye OEToolkits1.5.03-[(2R)-2-acetamido-2-(dihydroxyboranyl)ethyl]-2-hydroxy-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1cccc(c1O)CC(B(O)O)NC(=O)C
SMILES_CANONICALCACTVS3.341CC(=O)N[C@@H](Cc1cccc(C(O)=O)c1O)B(O)O
SMILESCACTVS3.341CC(=O)N[CH](Cc1cccc(C(O)=O)c1O)B(O)O
SMILES_CANONICALOpenEye OEToolkits1.5.0B([C@H](Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O
SMILESOpenEye OEToolkits1.5.0B(C(Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O
InChIInChI1.03InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
InChIKeyInChI1.03MSRKDROGGGBNIX-VIFPVBQESA-N

222415

數據於2024-07-10公開中

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