QQZ

phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid

Created:	2017-07-05
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	11

2D diagram of QQZ

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Chemical Component Summary
Name	phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
Systematic Name (OpenEye OEToolkits)	phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
Formula	C₇ H₁₀ B N₆ O₇ P S
Molecular Weight	364.04
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14)
InChIKey	InChI	1.03	NHSMXLLDAOLTTP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137349917

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