Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

OBF : Summary

Code

OBF

One-letter code

X

Molecule name

(2S)-2-amino-4,4-difluorobutanoic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-4,4-difluorobutanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4,4-difluoro-butanoic acid

Formula

C4 H7 F2 N O2

Formal charge

0

Molecular weight

139.101 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(F)CC(N)C(=O)O
SMILES CACTVS 3.341 N[CH](CC(F)F)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)C(F)F
Canonical SMILES CACTVS 3.341 N[C@@H](CC(F)F)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)C(F)F

IUPAC InChI

InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1

IUPAC InChI key

VIUCNIMDPZQXAD-REOHCLBHSA-N
OBF

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

2008-03-14

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned