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- ChemComp-FTY: DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE -

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Basic information

EntryDatabase: PDB chemical components / ID: FTY
NameName: deoxy-difluoromethelene-phosphotyrosine

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Chemical information

Composition
Formula: C10H12F2NO5P / Number of atoms: 31 / Formula weight: 295.177 / Formal charge: 0
Others

1a08

TYR

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: Y / Three letter code: FTY / Model coordinates PDB-ID: 1A08 / Parent comp.: TYR
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04FC(F)(c1ccc(cc1)CC(N)C(=O)O)P(=O)(O)O
CACTVS 3.341N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)C(F)(F)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O

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InChI

InChI 1.03InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1

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InChIKey

InChI 1.03HRDUMKHDIFUQGB-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-[difluoro(phosphono)methyl]-L-phenylalanine
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-[4-(difluoro-phosphono-methyl)phenyl]propanoic acid

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