OKP

{5-[(3-aminopropyl)amino]pentyl}boronic acid

Created:	2019-06-26
Last modified:	2019-09-18

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1 entries where OKP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	0

2D diagram of OKP

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Chemical Component Summary
Name	{5-[(3-aminopropyl)amino]pentyl}boronic acid
Systematic Name (OpenEye OEToolkits)	5-(3-azanylpropylamino)pentylboronic acid
Formula	C₈ H₂₁ B N₂ O₂
Molecular Weight	188.076
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(B(O)O)CCCCNCCCN
SMILES	CACTVS	3.385	NCCCNCCCCCB(O)O
SMILES	OpenEye OEToolkits	2.0.7	B(CCCCCNCCCN)(O)O
Canonical SMILES	CACTVS	3.385	NCCCNCCCCCB(O)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	B(CCCCCNCCCN)(O)O
InChI	InChI	1.03	InChI=1S/C8H21BN2O2/c10-6-4-8-11-7-3-1-2-5-9(12)13/h11-13H,1-8,10H2
InChIKey	InChI	1.03	WPADTVBHZOIAHR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71726586
ChEMBL	CHEMBL3546227

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