A1LZ4

2-[[(3~{R})-6-chloranyl-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]prop-2-enoic acid

Created:	2024-04-03
Last modified:	2025-03-19

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1 entries where A1LZ4 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of A1LZ4

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Chemical Component Summary
Name	2-[[(3~{R})-6-chloranyl-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]prop-2-enoic acid
Systematic Name (OpenEye OEToolkits)	2-[[(3~{R})-6-chloranyl-1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-3-yl]methyl]prop-2-enoic acid
Formula	C₁₁ H₁₁ B Cl O₅
Molecular Weight	269.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)C(=C)C[CH]1O[B+](O)(O)c2cc(Cl)ccc12
SMILES	OpenEye OEToolkits	2.0.7	[B+]1(c2cc(ccc2C(O1)CC(=C)C(=O)O)Cl)(O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C(=C)C[C@H]1O[B+](O)(O)c2cc(Cl)ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	[B+]1(c2cc(ccc2[C@H](O1)CC(=C)C(=O)O)Cl)(O)O
InChI	InChI	1.06	InChI=1S/C11H11BClO5/c1-6(11(14)15)4-10-8-3-2-7(13)5-9(8)12(16,17)18-10/h2-3,5,10,16-17H,1,4H2,(H,14,15)/q+1/t10-/m1/s1
InChIKey	InChI	1.06	SGRBFLNXBYZQFQ-SNVBAGLBSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.