![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
GNZ : Summary
Code ![](/pdbe/static/images/help.png)
|
GNZ
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C16 H18 F3 N O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
297.315 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
FC(F)(F)c1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1CCN2C3CCC2CC(=O)C3)C(F)(F)F |
Canonical SMILES
|
CACTVS |
3.385 |
FC(F)(F)c1ccc(CCN2[C@H]3CC[C@@H]2CC(=O)C3)cc1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C16H18F3NO/c17-16(18,19)12-3-1-11(2-4-12)7-8-20-13-5-6-14(20)10-15(21)9-13/h1-4,13-14H,5-10H2/t13-,14+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AOEXBMYHDDUFNM-OKILXGFUSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
39 (21 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2018-09-29
|
Last modified at ![](/pdbe/static/images/help.png)
|
2019-02-22
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|