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- ChemComp-JM7: N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine -

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Basic information

EntryDatabase: PDB chemical components / ID: JM7
NameName: N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine

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Chemical information

Composition
Formula: C9H19N3O2S / Number of atoms: 34 / Formula weight: 233.331 / Formal charge: 0
Others

3jt5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JM7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3JT5
History
Other modificationApr 7, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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(O)C(N)CCCNC(=[N@H])CSCC
CACTVS 3.370CCSCC(=N)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.0CCSCC(=N)NCCCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370CCSCC(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.0[H]/N=C(\CSCC)/NCCC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C9H19N3O2S/c1-2-15-6-8(11)12-5-3-4-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1

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InChIKey

InChI 1.03GKZCWWBQARDOFD-ZETCQYMHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N~5~-[(1E)-2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
OpenEye OEToolkits 1.7.0(2S)-2-azanyl-5-(2-ethylsulfanylethanimidoylamino)pentanoic acid

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PDB entries

Showing all 3 items

PDB-3jt5:
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine

PDB-3jt9:
Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine

PDB-3q9a:
Structure of neuronal nitric oxide synthase in the ferric state in complex with N-5-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine

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