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- ChemComp-FB6: 6-(dihydroxyboranyl)-2-methyl-L-norleucine -

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Basic information

EntryDatabase: PDB chemical components / ID: FB6
NameName: 6-(dihydroxyboranyl)-2-methyl-L-norleucine

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Chemical information

Composition
Formula: C7H16BNO4 / Number of atoms: 29 / Formula weight: 189.017 / Formal charge: 0
Others

3sl1

ALA

Type: L-peptide linking / PDB classification: ATOMP / One letter code: A / Three letter code: FB6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SL1 / Parent comp.: ALA
History
Create componentJun 27, 2011
Other modificationJul 12, 2011
Other modificationJul 13, 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 12.01O=C(O)C(N)(CCCCB(O)O)C
CACTVS 3.370C[C](N)(CCCCB(O)O)C(O)=O
OpenEye OEToolkits 1.7.2B(CCCCC(C)(C(=O)O)N)(O)O

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SMILES CANONICAL

CACTVS 3.370C[C@](N)(CCCCB(O)O)C(O)=O
OpenEye OEToolkits 1.7.2B(CCCCC(C)(C(=O)O)N)(O)O

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InChI

InChI 1.03InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)/t7-/m0/s1

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InChIKey

InChI 1.03VJCNFQNUKLFMMR-ZETCQYMHSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-(dihydroxyboranyl)-2-methyl-L-norleucine
OpenEye OEToolkits 1.7.22-azanyl-6-(dihydroxyboranyl)-2-methyl-hexanoic acid

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PDB entries

Showing all 1 items

PDB-3sl1:
Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-methylhexanoic acid

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