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- ChemComp-L3O: (2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: L3O
NameName: (2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid

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Chemical information

Composition
Formula: C7H15NO3 / Number of atoms: 26 / Formula weight: 161.199 / Formal charge: 0
Others

2whb

LEU

Type: L-peptide linking / PDB classification: ATOMP / One letter code: L / Three letter code: L3O / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WHB / Parent comp.: LEU
History
Create componentMay 3, 2009
Modify descriptorJun 4, 2011
Modify one letter codeApr 16, 2019
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / 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 10.04O=C(O)C(O)C(N)CC(C)C
CACTVS 3.352CC(C)C[CH](N)[CH](O)C(O)=O
OpenEye OEToolkits 1.6.1CC(C)CC(C(C(=O)O)O)N

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SMILES CANONICAL

CACTVS 3.352CC(C)C[C@H](N)[C@H](O)C(O)=O
OpenEye OEToolkits 1.6.1CC(C)C[C@@H]([C@@H](C(=O)O)O)N

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InChI

InChI 1.03InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1

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InChIKey

InChI 1.03GZLMFCWSEKVVGO-WDSKDSINSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
OpenEye OEToolkits 1.6.1(2S,3S)-3-amino-2-hydroxy-5-methyl-hexanoic acid

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PDB entries

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