Chemical Components in the PDB

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TEF : Summary

Code

TEF

One-letter code

F

Molecule name

4-(2H-tetrazol-2-yl)-L-phenylalanine

Synonyms

p-(2-tetrazolyl)-phenylalanine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(2H-tetrazol-2-yl)-L-phenylalanine
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-3-[4-(1,2,3,4-tetrazol-2-yl)phenyl]propanoic acid

Formula

C10 H11 N5 O2

Formal charge

0

Molecular weight

233.227 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)Cc1ccc(cc1)n2ncnn2
SMILES CACTVS 3.370 N[CH](Cc1ccc(cc1)n2ncnn2)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 c1cc(ccc1CC(C(=O)O)N)n2ncnn2
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1ccc(cc1)n2ncnn2)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2

IUPAC InChI

InChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1

IUPAC InChI key

KHTQUIIGXJUWFB-VIFPVBQESA-N
TEF

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

2010-06-03

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned