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- ChemComp-EXY: 6-[(2R)-oxiran-2-yl]-L-norleucine -

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Basic information

EntryDatabase: PDB chemical components / ID: EXY
NameName: 6-[(2R)-oxiran-2-yl]-L-norleucine / Synonyms: (2S)-2-amino-7,8-epoxy octanoic acid

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Chemical information

Composition
Formula: C8H15NO3 / Number of atoms: 27 / Formula weight: 173.21 / Formal charge: 0
Others

3dj8

LEU

Type: L-peptide linking / PDB classification: ATOMP / One letter code: L / Three letter code: EXY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3DJ8 / Parent comp.: LEU
History
Create componentJun 25, 2008
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / PubChem / 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 10.04O=C(O)C(N)CCCCC1OC1
CACTVS 3.341N[CH](CCCC[CH]1CO1)C(O)=O
OpenEye OEToolkits 1.5.0C1C(O1)CCCCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CCCC[C@@H]1CO1)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@H](O1)CCCC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C8H15NO3/c9-7(8(10)11)4-2-1-3-6-5-12-6/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m1/s1

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InChIKey

InChI 1.03VESDHWISIJZIDY-RQJHMYQMSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-[(2R)-oxiran-2-yl]-L-norleucine
OpenEye OEToolkits 1.5.0(2S)-2-amino-6-[(2R)-oxiran-2-yl]hexanoic acid

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PDB entries

Showing all 1 items

PDB-3dj8:
Synthesis of (2S)-2-amino-7,8-epoxyoctanoic acid and structure of its metal-bridging complex with human arginase I

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