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- ChemComp-SLR: (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-ox... -

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Basic information

EntryDatabase: PDB chemical components / ID: SLR
NameName: (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline

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Chemical information

Composition
Formula: C10H17NO5 / Number of atoms: 33 / Formula weight: 231.246 / Formal charge: 0
Others

3dy3

Type: D-peptide linking / PDB classification: ATOMP / One letter code: P / Three letter code: SLR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3DY3
History
Create componentJul 29, 2008
Modify descriptorJun 4, 2011
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=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
CACTVS 3.341CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O

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SMILES CANONICAL

CACTVS 3.341CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O

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InChI

InChI 1.03InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1

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InChIKey

InChI 1.03USVJHCXEVSVUEZ-JTGULSINSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
OpenEye OEToolkits 1.5.0(2R,3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methyl-propyl]-4-methyl-5-oxo-pyrrolidine-2-carboxylic acid

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PDB entries

Showing all 1 items

PDB-3dy3:
Crystal structure of yeast 20S proteasome in complex with the epimer form of spirolactacystin

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