BJP

(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID

Created:2000-04-19
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count43
Aromatic Bond Count12
2D diagram of BJP

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Chemical Component Summary

Name(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Systematic Name (OpenEye OEToolkits)3-[(2R)-2-(dihydroxyboranyl)-2-(2-phenylethanoylamino)ethyl]benzoic acid
FormulaC17 H18 B N O5
Molecular Weight327.14
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O
SMILESCACTVS3.341OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2
SMILESOpenEye OEToolkits1.5.0B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O
Canonical SMILESCACTVS3.341 OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2
Canonical SMILESOpenEye OEToolkits1.5.0 B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O
InChIInChI1.03 InChI=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
InChIKeyInChI1.03 ZAHVYMBTUDWUAX-HNNXBMFYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB07466 
Name(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Groups experimental
Synonyms(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Beta-lactamase TEMMSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5287796