OG2

1-(1-adamantyl)-3-ethyl-guanidine

Created:	2020-03-03
Last modified:	2020-03-11

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1 entries where OG2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	0

2D diagram of OG2

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Chemical Component Summary
Name	1-(1-adamantyl)-3-ethyl-guanidine
Systematic Name (OpenEye OEToolkits)	1-(1-adamantyl)-3-ethyl-guanidine
Formula	C₁₃ H₂₃ N₃
Molecular Weight	221.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCNC(=N)NC12CC3CC(CC(C3)C1)C2
SMILES	OpenEye OEToolkits	2.0.7	CCNC(=N)NC12CC3CC(C1)CC(C3)C2
Canonical SMILES	CACTVS	3.385	CCNC(=N)NC12CC3CC(CC(C3)C1)C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2
InChI	InChI	1.03	InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)/t9-,10+,11-,13-
InChIKey	InChI	1.03	VGBFQSVFIIHEDN-DNSLJTBWSA-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.