![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
LT3 : Summary
Code ![](/pdbe/static/images/help.png)
|
LT3
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C12 H12 F3 N
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
227.226 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
FC(F)(F)c1cccc2c1C3CCC2C3N |
SMILES
|
CACTVS |
3.341 |
N[CH]1[CH]2CC[CH]1c3c2cccc3C(F)(F)F |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2c(c(c1)C(F)(F)F)C3CCC2C3N |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@H]1[C@H]2CC[C@@H]1c3c2cccc3C(F)(F)F |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HHIJEPNAHYLKPE-RNSXUZJQSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
28 (16 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)
|
2009-05-08
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|