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- ChemComp-GYZ: [(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)o... -

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Basic information

EntryDatabase: PDB chemical components / ID: GYZ
NameName: [(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate

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Chemical information

Composition
Formula: C13H16N2O6 / Number of atoms: 37 / Formula weight: 296.276 / Formal charge: 0
Others

6hzy

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GYZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HZY
History
Create componentOct 24, 2018
Initial releaseFeb 20, 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

CACTVS 3.385C[CH]1OC(=NOC(=O)Nc2ccccc2)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6CC1C(C(C(C(=NOC(=O)Nc2ccccc2)O1)O)O)O

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SMILES CANONICAL

CACTVS 3.385C[C@@H]1OC(=N\OC(=O)Nc2ccccc2)/[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O

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InChI

InChI 1.03InChI=1S/C13H16N2O6/c1-7-9(16)10(17)11(18)12(20-7)15-21-13(19)14-8-5-3-2-4-6-8/h2-7,9-11,16-18H,1H3,(H,14,19)/b15-12-/t7-,9+,10+,11-/m0/s1

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InChIKey

InChI 1.03PUWMVMHIUFKDRR-SLDBRONRSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6[(~{Z})-[(3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-ylidene]amino] ~{N}-phenylcarbamate

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PDB entries

Showing all 1 items

PDB-6hzy:
Crystal structure of a bacterial fucosidase with inhibitor FucPUG

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