Chemical Components in the PDB

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GFX : Summary

Code

GFX

One-letter code

X

Molecule name

methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical

Systematic names

ProgramVersionName
ACDLabs 12.01 methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate
OpenEye OEToolkits 2.0.7 methyl 4-fluoranyl-2,2,5,5-tetramethyl-1-oxidanyl-pyrrole-3-carboxylate

Formula

C10 H16 F N O3

Formal charge

0

Molecular weight

217.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FC1=C(C(=O)OC)C(C)(C)N(O)C1(C)C
SMILES CACTVS 3.385 COC(=O)C1=C(F)C(C)(C)N(O)C1(C)C
SMILES OpenEye OEToolkits 2.0.7 CC1(C(=C(C(N1O)(C)C)F)C(=O)OC)C
Canonical SMILES CACTVS 3.385 COC(=O)C1=C(F)C(C)(C)N(O)C1(C)C
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1(C(=C(C(N1O)(C)C)F)C(=O)OC)C

IUPAC InChI

InChI=1S/C10H16FNO3/c1-9(2)6(8(13)15-5)7(11)10(3,4)12(9)14/h14H,1-5H3

IUPAC InChI key

XDMSBWBMQSTLAZ-UHFFFAOYSA-N
GFX

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-20

Last modified at

2024-07-15

Status

Released

Obsoleted

Not Assigned