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- ChemComp-1G8: 4-(aminomethyl)-D-phenylalanine -

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Basic information

EntryDatabase: PDB chemical components / ID: 1G8
NameName: 4-(aminomethyl)-D-phenylalanine

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Chemical information

Composition
Formula: C10H14N2O2 / Number of atoms: 28 / Formula weight: 194.23 / Formal charge: 0
Others

4inu

Type: D-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: 1G8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4INU
History
Create componentJan 22, 2013
Initial releaseJan 25, 2013
Other modificationDec 11, 2019
External linksUniChem / ChemSpider / CompTox / PubChem / 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)Cc1ccc(cc1)CN
CACTVS 3.370NCc1ccc(C[CH](N)C(O)=O)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1CC(C(=O)O)N)CN

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SMILES CANONICAL

CACTVS 3.370NCc1ccc(C[C@@H](N)C(O)=O)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1C[C@H](C(=O)O)N)CN

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InChI

InChI 1.03InChI=1S/C10H14N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m1/s1

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InChIKey

InChI 1.03GNVNKFUEUXUWDV-SECBINFHSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(aminomethyl)-D-phenylalanine
OpenEye OEToolkits 1.7.6(2R)-3-[4-(aminomethyl)phenyl]-2-azanyl-propanoic acid

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PDB entries

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