Chemical Components in the PDB

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FL2 : Summary

Code

FL2

One-letter code

X

Molecule name

FLURBIPROFEN METHYL ESTER

Systematic names

ProgramVersionName
ACDLabs 10.04 methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate
OpenEye OEToolkits 1.5.0 methyl (2S)-2-(3-fluoro-4-phenyl-phenyl)propanoate

Formula

C16 H15 F O2

Formal charge

0

Molecular weight

258.288 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc2cc(ccc2c1ccccc1)C(C(=O)OC)C
SMILES CACTVS 3.341 COC(=O)[CH](C)c1ccc(c(F)c1)c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OC
Canonical SMILES CACTVS 3.341 COC(=O)[C@@H](C)c1ccc(c(F)c1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC

IUPAC InChI

InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m0/s1

IUPAC InChI key

CPJBKHZROFMSQM-NSHDSACASA-N
FL2

wwPDB Information

Atom count

34 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-01-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned