Chemical Components in the PDB

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4FB : Summary

Code

4FB

One-letter code

P

Molecule name

(4S)-4-FLUORO-L-PROLINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (4S)-4-fluoro-L-proline
OpenEye OEToolkits 1.5.0 (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid

Formula

C5 H8 F N O2

Formal charge

0

Molecular weight

133.121 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1NCC(F)C1
SMILES CACTVS 3.341 OC(=O)[CH]1C[CH](F)CN1
SMILES OpenEye OEToolkits 1.5.0 C1C(CNC1C(=O)O)F
Canonical SMILES CACTVS 3.341 OC(=O)[C@@H]1C[C@H](F)CN1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@@H](CN[C@@H]1C(=O)O)F

IUPAC InChI

InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1

IUPAC InChI key

ZIWHMENIDGOELV-IMJSIDKUSA-N
4FB

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2007-06-06

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned