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- ChemComp-N8P: N-ACETYL-D-PROLINE -

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Basic information

EntryDatabase: PDB chemical components / ID: N8P
NameName: N-acetyl-D-proline

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Chemical information

Composition
Formula: C7H11NO3 / Number of atoms: 22 / Formula weight: 157.167 / Formal charge: 0
Others

4ayu

ACY

DPR

Type: D-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: P / Three letter code: N8P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4AYU / Subcomponent: ACY, DPR
History
Create componentJun 22, 2012
Modify leaving atom flagJun 29, 2012
Modify atom idJun 29, 2012
Initial releaseJul 10, 2013
Modify descriptorSep 5, 2014
Other modificationSep 5, 2019
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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(N1C(C(=O)O)CCC1)C
CACTVS 3.385CC(=O)N1CCC[CH]1C(O)=O
OpenEye OEToolkits 1.9.2CC(=O)N1CCCC1C(=O)O

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SMILES CANONICAL

CACTVS 3.385CC(=O)N1CCC[C@@H]1C(O)=O
OpenEye OEToolkits 1.9.2CC(=O)N1CCC[C@@H]1C(=O)O

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InChI

InChI 1.03InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1

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InChIKey

InChI 1.03GNMSLDIYJOSUSW-ZCFIWIBFSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-acetyl-D-proline
OpenEye OEToolkits 1.9.2(2R)-1-ethanoylpyrrolidine-2-carboxylic acid

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PDB entries

Showing all 1 items

PDB-4ayu:
Structure of N-Acetyl-D-Proline bound to serum amyloid P component

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