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- ChemComp-8SZ: (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 8SZ
NameName: (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide

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Chemical information

Composition
Formula: C6H15N3O2 / Number of atoms: 26 / Formula weight: 161.202 / Formal charge: 0
Others

5nc9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8SZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NC9
History
Create componentMar 3, 2017
Initial releaseFeb 21, 2018
External linksUniChem / ChemSpider / Brenda / ChEMBL / Nikkaji / PubChem / SureChEMBL / 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

CACTVS 3.385NCCCC[CH](N)C(=O)NO
OpenEye OEToolkits 2.0.6C(CCN)CC(C(=O)NO)N

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SMILES CANONICAL

CACTVS 3.385NCCCC[C@H](N)C(=O)NO
OpenEye OEToolkits 2.0.6C(CCN)C[C@@H](C(=O)NO)N

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InChI

InChI 1.03InChI=1S/C6H15N3O2/c7-4-2-1-3-5(8)6(10)9-11/h5,11H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

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InChIKey

InChI 1.03NZWPVDFOIUKVSJ-YFKPBYRVSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide

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PDB entries

Showing all 1 items

PDB-5nc9:
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2,6-diamino-N-hydroxyhexanamide

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