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- ChemComp-5G0: (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: 5G0
NameName: (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate

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Chemical information

Composition
Formula: C15H19N3O7 / Number of atoms: 44 / Formula weight: 353.327 / Formal charge: 0
Others

5a57

Type: non-polymer / PDB classification: HETAIN / Three letter code: 5G0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5A57
History
Create componentJun 16, 2015
Initial releaseSep 2, 2015
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

CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2ccccc2
OpenEye OEToolkits 1.7.6CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O)O

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SMILES CANONICAL

CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O\C1=N/OC(=O)Nc2ccccc2
OpenEye OEToolkits 1.7.6CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O

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InChI

InChI 1.03InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1

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InChIKey

InChI 1.03PBLNJFVQMUMOJY-UYZOWNTJSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.6[(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate

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PDB entries

Showing all 1 items

PDB-5a57:
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with PUGT

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