Chemical Components in the PDB

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FTR : Summary

Code

FTR

One-letter code

W

Molecule name

FLUOROTRYPTOPHANE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-fluoro-L-tryptophan
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(5-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)Cc2c1cc(F)ccc1nc2
SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2ccc(F)cc12)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N

IUPAC InChI

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

IUPAC InChI key

INPQIVHQSQUEAJ-VIFPVBQESA-N
FTR

wwPDB Information

Atom count

27 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TRP

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned