EL7

N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name)

Created:	2018-01-19
Last modified:	2021-03-13

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1 entries where EL7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	131
Chiral Atom Count	8
Bond Count	132
Aromatic Bond Count	6

2D diagram of EL7

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Chemical Component Summary
Name	N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]heptadecanamide (non-preferred name)
Synonyms	aGSA[16,6P]
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{S},3~{S},4~{R})-1-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-8-oxidanylidene-8-(6-phenylhexylamino)octan-2-yl]heptadecanamide
Formula	C₄₃ H₇₆ N₂ O₁₀
Molecular Weight	781.071
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC2C(C(OC(OCC(NC(CCCCCCCCCCCCCCCC)=O)C(O)C(O)CCCC(NCCCCCCc1ccccc1)=O)C2O)CO)O
SMILES	CACTVS	3.385	CCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCCCCCCc2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O
InChI	InChI	1.03	InChI=1S/C43H76N2O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-38(49)45-34(32-54-43-42(53)41(52)40(51)36(31-46)55-43)39(50)35(47)27-23-29-37(48)44-30-22-16-15-18-24-33-25-19-17-20-26-33/h17,19-20,25-26,34-36,39-43,46-47,50-53H,2-16,18,21-24,27-32H2,1H3,(H,44,48)(H,45,49)/t34-,35+,36+,39-,40-,41-,42+,43-/m0/s1
InChIKey	InChI	1.03	RQEJSGOMFNKTNZ-WFRYLEPNSA-N

Related Resource References

Resource Name	Reference
PubChem	137349261

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.