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BJP

Summary
Name:(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Formula:C17 H18 B N O5
Formal charge:0
Formula weight:327.14 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-{(2R)-2-(dihydroxyboranyl)-2-[(phenylacetyl)amino]ethyl}benzoic acid
OpenEye OEToolkits1.5.03-[(2R)-2-(dihydroxyboranyl)-2-(2-phenylethanoylamino)ethyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O
SMILES_CANONICALCACTVS3.341OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2
SMILESCACTVS3.341OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O
SMILESOpenEye OEToolkits1.5.0B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O
InChIInChI1.03InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKeyInChI1.03ZAHVYMBTUDWUAX-HNNXBMFYSA-N

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PDB entries from 2024-09-11

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