U4G

N-octylguanidine

Created:	2020-04-16
Last modified:	2020-10-28

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1 entries where U4G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	0

2D diagram of U4G

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Chemical Component Summary
Name	N-octylguanidine
Systematic Name (OpenEye OEToolkits)	1-octylguanidine
Formula	C₉ H₂₁ N₃
Molecular Weight	171.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C)CCCCCCNC(\N)=N
SMILES	CACTVS	3.385	CCCCCCCCNC(N)=N
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCNC(=N)N
Canonical SMILES	CACTVS	3.385	CCCCCCCCNC(N)=N
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\N)/NCCCCCCCC
InChI	InChI	1.03	InChI=1S/C9H21N3/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)
InChIKey	InChI	1.03	XPYXSZDENRDLKD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	30622, 5360642
ChEMBL	CHEMBL440685

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.