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- ChemComp-NPG: N-SUCCINYL PHENYLGLYCINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: NPG
NameName: N-succinyl phenylglycine

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Chemical information

Composition
Formula: C12H13NO5 / Number of atoms: 31 / Formula weight: 251.235 / Formal charge: 0
Others

1sjd

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NPG / Model coordinates PDB-ID: 1SJD
History
Create componentMar 4, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / DrugBank / Nikkaji / PubChem / 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)CCC(=O)NC(C(=O)O)c1ccccc1
CACTVS 3.341OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(C(=O)O)NC(=O)CCC(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)CCC(=O)N[C@@H](C(O)=O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O

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InChI

InChI 1.03InChI=1S/C12H13NO5/c14-9(6-7-10(15)16)13-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t11-/m1/s1

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InChIKey

InChI 1.03GQFHIYFXQQEWME-LLVKDONJSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-{[(R)-carboxy(phenyl)methyl]amino}-4-oxobutanoic acid
OpenEye OEToolkits 1.5.04-[[(1R)-2-hydroxy-2-oxo-1-phenyl-ethyl]amino]-4-oxo-butanoic acid

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PDB entries

Showing all 1 items

PDB-1sjd:
x-ray structure of o-succinylbenzoate synthase complexed with n-succinyl phenylglycine

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