8LC

N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE)

Created:	2015-08-19
Last modified:	2016-09-28

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1 entries where 8LC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	12

2D diagram of 8LC

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Chemical Component Summary
Name	N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE)
Systematic Name (OpenEye OEToolkits)	N-[8-[[2,3-bis(oxidanyl)phenyl]carbonylamino]octyl]-2,3-bis(oxidanyl)benzamide
Formula	C₂₂ H₂₈ N₂ O₆
Molecular Weight	416.468
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cccc(C(=O)NCCCCCCCCNC(=O)c2cccc(O)c2O)c1O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O
Canonical SMILES	CACTVS	3.385	Oc1cccc(C(=O)NCCCCCCCCNC(=O)c2cccc(O)c2O)c1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O
InChI	InChI	1.03	InChI=1S/C22H28N2O6/c25-17-11-7-9-15(19(17)27)21(29)23-13-5-3-1-2-4-6-14-24-22(30)16-10-8-12-18(26)20(16)28/h7-12,25-28H,1-6,13-14H2,(H,23,29)(H,24,30)
InChIKey	InChI	1.03	DREKRZFIOMALFJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	102083875
CCDC/CSD	UDECIQ
COD	4022769

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.