BJP

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

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

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1 entries where BJP is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	12

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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
Formula	C₁₇ H₁₈ B N O₅
Molecular Weight	327.14
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O
SMILES	CACTVS	3.341	OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O
Canonical SMILES	CACTVS	3.341	OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	B([C@H](Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O)O
InChI	InChI	1.03	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
InChIKey	InChI	1.03	ZAHVYMBTUDWUAX-HNNXBMFYSA-N

Drug Info: DrugBank

DrugBank ID	DB07466
Name	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Groups	experimental
Synonyms	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase TEM	MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLN...	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