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- ChemComp-HMF: 2-AMINO-4-PHENYL-BUTYRIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: HMF
NameName: 2-amino-4-phenyl-butyric acid / Synonyms: D-BETA-HOMOPHENYLALANINE

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Chemical information

Composition
Formula: C10H13NO2 / Number of atoms: 26 / Formula weight: 179.216 / Formal charge: 0
Others

1ay6

Type: D-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: HMF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1AY6
History
Create componentJul 8, 1999
Modify linking typeMar 23, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / 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 12.01O=C(O)C(N)CCc1ccccc1
CACTVS 3.370N[CH](CCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370N[C@H](CCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC[C@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1

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InChIKey

InChI 1.03JTTHKOPSMAVJFE-SECBINFHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-amino-4-phenylbutanoic acid
OpenEye OEToolkits 1.7.0(2R)-2-azanyl-4-phenyl-butanoic acid

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PDB entries

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