A1INK

2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[18.2.1.01,6.06,10]tricosane-3,12-dione

Created:	2024-09-11
Last modified:	2025-01-15

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1 entries where A1INK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	82
Chiral Atom Count	2
Bond Count	86
Aromatic Bond Count	11

2D diagram of A1INK

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Chemical Component Summary
Name	2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[18.2.1.01,6.06,10]tricosane-3,12-dione
Formula	C₃₀ H₄₂ N₄ O₆
Molecular Weight	554.678
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc2cc(OCCCn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
SMILES	OpenEye OEToolkits	2.0.7	COc1cc2cc(c1OC)OCCCn3cc(nn3)CCCOC(=O)C4CCCCN4C(=O)C2C5CCCCC5
Canonical SMILES	CACTVS	3.385	COc1cc2cc(OCCCn3cc(CCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc2cc(c1OC)OCCCn3cc(nn3)CCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5
InChI	InChI	1.06	InChI=1S/C30H42N4O6/c1-37-25-18-22-19-26(28(25)38-2)39-17-9-14-33-20-23(31-32-33)12-8-16-40-30(36)24-13-6-7-15-34(24)29(35)27(22)21-10-4-3-5-11-21/h18-21,24,27H,3-17H2,1-2H3/t24-,27-/m0/s1
InChIKey	InChI	1.06	KBEFRQWYVBCTFI-IGKIAQTJSA-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.