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- ChemComp-NFA: PHENYLALANINE AMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: NFA
NameName: phenylalanine amide

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Chemical information

Composition
Formula: C9H12N2O / Number of atoms: 24 / Formula weight: 164.204 / Formal charge: 0
Others

1qa7

PHE

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: F / Three letter code: NFA / Model coordinates PDB-ID: 1QA7 / Parent comp.: PHE
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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 10.04O=C(N)C(N)Cc1ccccc1
CACTVS 3.341N[CH](Cc1ccccc1)C(N)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)N)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1ccccc1)C(N)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)N)N

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InChI

InChI 1.03InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1

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InChIKey

InChI 1.03OBSIQMZKFXFYLV-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 10.04L-phenylalaninamide
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-phenyl-propanamide

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PDB entries

Showing all 3 items

PDB-2a4o:
Dual modes of modification of Hepatitis A virus 3C protease by a serine derived beta-lactone: selective crytstallization and high resolution structure of the His102 adduct

PDB-2efx:
The crystal structure of D-amino acid amidase from Ochrobactrum anthropi SV3 complexed with L-phenylalanine amide

PDB-4yjx:
The structure of Agrobacterium tumefaciens ClpS2 bound to L-phenylalaninamide

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