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V36

Summary
Name:L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID
Synonyms:L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID
Formula:C10 H14 B Cl N O4
Formal charge:-1
Formula weight:258.486 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-)
OpenEye OEToolkits1.5.0[(1R)-1-acetamido-2-(4-chlorophenyl)ethyl]-trihydroxy-boron

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O
SMILES_CANONICALCACTVS3.341CC(=O)N[C@@H](Cc1ccc(Cl)cc1)[B-](O)(O)O
SMILESCACTVS3.341CC(=O)N[CH](Cc1ccc(Cl)cc1)[B-](O)(O)O
SMILES_CANONICALOpenEye OEToolkits1.5.0[B-]([C@H](Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O
SMILESOpenEye OEToolkits1.5.0[B-](C(Cc1ccc(cc1)Cl)NC(=O)C)(O)(O)O
InChIInChI1.03InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1
InChIKeyInChI1.03FPCXTDQHLFRWCJ-JTQLQIEISA-N

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PDB entries from 2024-07-10

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