BPR

(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE

Created:	2005-08-19
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	33
Aromatic Bond Count	0

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Chemical Component Summary
Name	(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE
Systematic Name (OpenEye OEToolkits)	[(2R)-1-[(2S)-pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]boronic acid
Formula	C₉ H₁₇ B N₂ O₃
Molecular Weight	212.054
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N1C(B(O)O)CCC1)C2NCCC2
SMILES	CACTVS	3.341	OB(O)[CH]1CCCN1C(=O)[CH]2CCCN2
SMILES	OpenEye OEToolkits	1.5.0	B(C1CCCN1C(=O)C2CCCN2)(O)O
Canonical SMILES	CACTVS	3.341	OB(O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2
Canonical SMILES	OpenEye OEToolkits	1.5.0	B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O
InChI	InChI	1.03	InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
InChIKey	InChI	1.03	XSBZZZGVAIXJLD-YUMQZZPRSA-N

Drug Info: DrugBank

DrugBank ID	DB07482
Name	(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE
Groups	experimental
Synonyms	(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dipeptidyl peptidase 4	MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLK...	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