A1M

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

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

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1 entries where A1M 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 A1M

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Chemical Component Summary
Name	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
Systematic Name (OpenEye OEToolkits)	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid
Formula	C₈ H₁₁ B N₅ O₇ P S
Molecular Weight	363.052
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OB(CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.385	OB(CN[S](=O)(=O)c1ccc(cc1)c2[nH]nnn2)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	B(CNS(=O)(=O)c1ccc(cc1)c2[nH]nnn2)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C8H11BN5O7PS/c15-9(21-22(16,17)18)5-10-23(19,20)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15H,5H2,(H2,16,17,18)(H,11,12,13,14)
InChIKey	InChI	1.03	UHAQVSCTKPIBDM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348886

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