Chemical Components in the PDB

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FFL : Summary

Code

FFL

One-letter code

L

Molecule name

5,5'-difluoroleucines

Synonyms

(2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid

Formula

C6 H11 F2 N O2

Formal charge

0

Molecular weight

167.154 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CC(CF)CF)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(C(CF)CF)C(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](CC(CF)CF)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@@H](C(=O)O)N)C(CF)CF

IUPAC InChI

InChI=1S/C6H11F2NO2/c7-2-4(3-8)1-5(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)/t5-/m0/s1

IUPAC InChI key

UFUPPGKUXMRROI-YFKPBYRVSA-N
FFL

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

Yes

Standard parent

LEU

Defined at

2021-11-10

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned