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- ChemComp-IOR: N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine -

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Basic information

EntryDatabase: PDB chemical components / ID: IOR
NameName: N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine

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Chemical information

Composition
Formula: C9H16N4O3 / Number of atoms: 32 / Formula weight: 228.248 / Formal charge: 0
Others

2mov

ARG

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / Three letter code: IOR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2MOV / Parent comp.: ARG
History
Create componentMay 28, 2014
Initial releaseJun 25, 2014
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 12.01O=C1N=C(NCCCC(C(=O)O)N)NC1C
CACTVS 3.385C[CH]1NC(=NC1=O)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6CC1C(=O)N=C(N1)NCCCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385C[C@H]1NC(=NC1=O)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1

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InChIKey

InChI 1.03KGQMQNPFMOBJCY-RITPCOANSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine
OpenEye OEToolkits 1.7.6(2S)-2-azanyl-5-[[(5R)-5-methyl-4-oxidanylidene-1,5-dihydroimidazol-2-yl]amino]pentanoic acid

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PDB entries

Showing all 1 items

PDB-2mov:
Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal Derived AGEs.

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