A1L8E

14-[diphenyl(pyridin-2-yl)-$l^{5}-phosphanyl]tetradecyl 2-methyl-4-oxidanyl-benzoate

Created:	2025-02-28
Last modified:	2025-09-10

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1 entries where A1L8E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	94
Chiral Atom Count	0
Bond Count	97
Aromatic Bond Count	24

2D diagram of A1L8E

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Chemical Component Summary
Name	14-[diphenyl(pyridin-2-yl)-$l^{5}-phosphanyl]tetradecyl 2-methyl-4-oxidanyl-benzoate
Systematic Name (OpenEye OEToolkits)	14-[diphenyl(pyridin-2-yl)-$l^{5}-phosphanyl]tetradecyl 2-methyl-4-oxidanyl-benzoate
Formula	C₃₉ H₅₀ N O₃ P
Molecular Weight	611.793
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(O)ccc1C(=O)OCCCCCCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c4ccccn4
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1C(=O)OCCCCCCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccn4)O
Canonical SMILES	CACTVS	3.385	Cc1cc(O)ccc1C(=O)OCCCCCCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c4ccccn4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1C(=O)OCCCCCCCCCCCCCCP(c2ccccc2)(c3ccccc3)c4ccccn4)O
InChI	InChI	1.06	InChI=1S/C39H50NO3P/c1-33-32-34(41)27-28-37(33)39(42)43-30-20-10-8-6-4-2-3-5-7-9-11-21-31-44(35-22-14-12-15-23-35,36-24-16-13-17-25-36)38-26-18-19-29-40-38/h12-19,22-29,32,41,44H,2-11,20-21,30-31H2,1H3
InChIKey	InChI	1.06	XOLHROXNDQJWIB-UHFFFAOYSA-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.