KJK

(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

Created:	2019-05-24
Last modified:	2024-09-27

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4 entries where KJK is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	1
Bond Count	58
Aromatic Bond Count	6

2D diagram of KJK

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Chemical Component Summary
Name	(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Formula	C₁₉ H₂₈ B N₃ O₅
Molecular Weight	389.254
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3cccc(C(O)=O)c3OB2O
SMILES	OpenEye OEToolkits	2.0.7	B1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O
Canonical SMILES	CACTVS	3.385	NCCN[C@@H]1CC[C@H](CC1)CC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O
Canonical SMILES	OpenEye OEToolkits	2.0.7	B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O
InChI	InChI	1.03	InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14-,16-/m0/s1
InChIKey	InChI	1.03	PFZUWUXKQPRWAL-NOLJZWGESA-N

Drug Info: DrugBank

DrugBank ID	DB16338
Name	Taniborbactam
Groups	investigational
Description	Taniborbactam is under investigation in clinical trial NCT03840148 (Safety and Efficacy Study of Cefepime/vnrx-5133 in Patients With Complicated Urinary Tract Infections).
Synonyms	Taniborbactam
Categories	Acids Acids, Noncarboxylic Boron Compounds
CAS number	1613267-49-4

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