PKY

[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid

Created:	2019-08-16
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	11

2D diagram of PKY

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Chemical Component Summary
Name	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
Systematic Name (OpenEye OEToolkits)	[4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
Formula	C₁₀ H₁₂ B N₄ O₆ P
Molecular Weight	326.01
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)nn2
SMILES	OpenEye OEToolkits	2.0.7	B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)nn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C10H12BN4O6P/c12-10(16)8-3-1-2-7(4-8)9-5-15(14-13-9)6-11(17)21-22(18,19)20/h1-5,17H,6H2,(H2,12,16)(H2,18,19,20)
InChIKey	InChI	1.03	FKHVACRDBKDASW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146672967

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