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- ChemComp-2UZ: (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-c... -

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Basic information

EntryDatabase: PDB chemical components / ID: 2UZ
NameName: (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Synonyms: (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrolyzed form

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Chemical information

Composition
Formula: C7H10N2O4S / Number of atoms: 24 / Formula weight: 218.23 / Formal charge: 0
Others

4old

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2UZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4OLD
History
Create componentFeb 17, 2014
Initial releaseMay 28, 2014
Modify synonymsMar 13, 2021
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)C1SCC=C(C(=O)O)N1
CACTVS 3.370N[CH]([CH]1NC(=CCS1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C1C=C(NC(S1)C(C(=O)O)N)C(=O)O

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SMILES CANONICAL

CACTVS 3.370N[C@@H]([C@@H]1NC(=CCS1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C1C=C(NC(S1)C(C(=O)O)N)C(=O)O

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InChI

InChI 1.03InChI=1S/C7H10N2O4S/c8-4(7(12)13)5-9-3(6(10)11)1-2-14-5/h1,4-5,9H,2,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1

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InChIKey

InChI 1.03ILCKCFSUIJSDAX-CRCLSJGQSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
OpenEye OEToolkits 1.7.62-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

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PDB entries

Showing all 1 items

PDB-4old:
Crystal structure of AmpC beta-lactamase in complex with the product form of (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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