Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GNZ : Summary

Code

GNZ

One-letter code

X

Molecule name

(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one

Formula

C16 H18 F3 N O

Formal charge

0

Molecular weight

297.315 Da

SMILES

TypeProgramVersionDescriptor
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

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

AOEXBMYHDDUFNM-OKILXGFUSA-N
GNZ

wwPDB Information

Atom count

39 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-29

Last modified at

2019-02-22

Status

Released

Obsoleted

Not Assigned