Chemical Components in the PDB

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FGN : Summary

Code

FGN

One-letter code

X

Molecule name

(~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide

Formula

C16 H13 Cl2 N O3

Formal charge

0

Molecular weight

338.185 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 ONC(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl
SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)C=CC(=O)NO)OCc2c(cccc2Cl)Cl
Canonical SMILES CACTVS 3.385 ONC(=O)\C=C\c1ccccc1OCc2c(Cl)cccc2Cl
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl

IUPAC InChI

InChI=1S/C16H13Cl2NO3/c17-13-5-3-6-14(18)12(13)10-22-15-7-2-1-4-11(15)8-9-16(20)19-21/h1-9,21H,10H2,(H,19,20)/b9-8+

IUPAC InChI key

YTQRIEFQVODUBZ-CMDGGOBGSA-N
FGN

wwPDB Information

Atom count

35 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-28

Last modified at

2018-08-10

Status

Released

Obsoleted

Not Assigned