HG1

1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol

Created:	2013-10-16
Last modified:	2020-06-05

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3 entries where HG1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	4
Bond Count	61
Aromatic Bond Count	0

2D diagram of HG1

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Chemical Component Summary
Name	1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol
Synonyms	C-HEGA-10
Systematic Name (OpenEye OEToolkits)	4-cyclohexyl-N-(2-hydroxyethyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]butanamide
Formula	C₁₈ H₃₅ N O₇
Molecular Weight	377.473
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1
SMILES	CACTVS	3.370	OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CCCC1CCCCC1
SMILES	OpenEye OEToolkits	1.7.6	C1CCC(CC1)CCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O
Canonical SMILES	CACTVS	3.370	OCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CCCC1CCCCC1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI	InChI	1.03	InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1
InChIKey	InChI	1.03	XAMJEPWYNXYYBT-BURFUSLBSA-N

Related Resource References

Resource Name	Reference
PubChem	23653049

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.