BSH

3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid

Created:	2010-08-03
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	12

2D diagram of BSH

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Chemical Component Summary
Name	3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	3-[(2R)-2-(dihydroxyboranyl)-2-(phenylmethylsulfonylamino)ethyl]benzoic acid
Formula	C₁₆ H₁₈ B N O₆ S
Molecular Weight	363.193
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NC(B(O)O)Cc1cccc(C(=O)O)c1)Cc2ccccc2
SMILES	CACTVS	3.370	OB(O)[CH](Cc1cccc(c1)C(O)=O)N[S](=O)(=O)Cc2ccccc2
SMILES	OpenEye OEToolkits	1.7.0	B(C(Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O
Canonical SMILES	CACTVS	3.370	OB(O)[C@H](Cc1cccc(c1)C(O)=O)N[S](=O)(=O)Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	B([C@H](Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2ccccc2)(O)O
InChI	InChI	1.03	InChI=1S/C16H18BNO6S/c19-16(20)14-8-4-7-13(9-14)10-15(17(21)22)18-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,18,21-22H,10-11H2,(H,19,20)/t15-/m0/s1
InChIKey	InChI	1.03	LCKOZWBVAVBOPR-HNNXBMFYSA-N

Related Resource References

Resource Name	Reference
PubChem	49837194
ChEMBL	CHEMBL1231478

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