Chemical Components in the PDB

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FT6 : Summary

Code

FT6

One-letter code

W

Molecule name

6-FLUORO-L-TRYPTOPHAN

Synonyms

(S)-2-AMINO-3-(6-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 6-fluoro-L-tryptophan
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid

Formula

C11 H11 F N2 O2

Formal charge

0

Molecular weight

222.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc2c1ccc(F)cc1nc2
SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)[nH]cc2CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1

IUPAC InChI key

YMEXGEAJNZRQEH-VIFPVBQESA-N
FT6

wwPDB Information

Atom count

27 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TRP

Defined at

2006-11-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned