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- ChemComp-J9Y: (2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azani... -

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Basic information

EntryDatabase: PDB chemical components / ID: J9Y
NameName: (2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate

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Chemical information

Composition
Formula: C7H16N4O3 / Number of atoms: 30 / Formula weight: 204.227 / Formal charge: 0
Others

6m9r

ARG

Type: L-peptide linking / PDB classification: ATOMP / Three letter code: J9Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6M9R / Parent comp.: ARG
History
Create componentAug 27, 2018
Initial releaseFeb 6, 2019
External linksUniChem / ChemSpider / 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 12.01NC(CCC/[N+](O)=C(/N)NC)C([O-])=O
CACTVS 3.385CNC(N)=[N+](O)CCC[CH](N)C([O-])=O
OpenEye OEToolkits 2.0.6CNC(=[N+](CCCC(C(=O)[O-])N)O)N

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SMILES CANONICAL

CACTVS 3.385CN\C(N)=[N+](O)/CCC[C@H](N)C([O-])=O
OpenEye OEToolkits 2.0.6CN/C(=[N+](\CCC[C@@H](C(=O)[O-])N)/O)/N

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InChI

InChI 1.03InChI=1S/C7H16N4O3/c1-10-7(9)11(14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H3,9,10,12,13)/t5-/m0/s1

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InChIKey

InChI 1.03AZWNHVHYFWVYQE-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
OpenEye OEToolkits 2.0.6(2~{S})-2-azanyl-5-[(~{E})-[azanyl(methylamino)methylidene]-oxidanyl-azaniumyl]pentanoate

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PDB entries

Showing all 1 items

PDB-6m9r:
Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 with a bound N(delta)-hydroxy-N(omega)-methyl-L-arginine intermediate

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