Chemical Components in the PDB

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FLT : Summary

Code

FLT

One-letter code

Y

Molecule name

FLUOROMALONYL TYROSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 {4-[(2S)-2-amino-2-carboxyethyl]phenoxy}(fluoro)propanedioic acid
OpenEye OEToolkits 1.5.0 2-[4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]phenoxy]-2-fluoro-propanedioic acid

Formula

C12 H12 F N O7

Formal charge

0

Molecular weight

301.225 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O
SMILES CACTVS 3.341 N[CH](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CC(C(=O)O)N)OC(C(=O)O)(C(=O)O)F
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F

IUPAC InChI

InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1

IUPAC InChI key

AXIAXCQZCZMCQW-QMMMGPOBSA-N
FLT

wwPDB Information

Atom count

33 (21 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

HETAIN

Is modified

Yes

Standard parent

TYR

Defined at

1999-08-25

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned