RWZ

N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine

Created:	2011-05-11
Last modified:	2011-06-04

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4 entries where RWZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	0

2D diagram of RWZ

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Chemical Component Summary
Name	N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
Systematic Name (OpenEye OEToolkits)	N'-(2-adamantyl)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
Formula	C₂₂ H₃₈ N₂
Molecular Weight	330.551
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=C\CCC(=C/CNCCNC3C1CC2CC3CC(C1)C2)\C)(\C)C
SMILES	CACTVS	3.370	CC(C)=CCCC(C)=CCNCCNC1C2CC3CC(C2)CC1C3
SMILES	OpenEye OEToolkits	1.7.2	CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C)C
Canonical SMILES	CACTVS	3.370	CC(C)=CCCC(\C)=C/CNCCNC1C2CC3CC(C2)CC1C3
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)C
InChI	InChI	1.03	InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7-/t18-,19+,20-,21+,22-
InChIKey	InChI	1.03	JFIBVDBTCDTBRH-MDXVBTBDSA-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.