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- ChemComp-ZA2: [(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON -

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Basic information

EntryDatabase: PDB chemical components / ID: ZA2
NameName: [(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron
Synonyms: 2-CHLOROBENZAMIDOMETHYLBORONIC ACID

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Chemical information

Composition
Formula: C8H10BClNO4 / Number of atoms: 25 / Formula weight: 230.433 / Formal charge: -1
Others

2y2h

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZA2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2Y2H
History
Create componentDec 15, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 3.352O[B-](O)(O)CNC(=O)c1ccccc1Cl
OpenEye OEToolkits 1.6.1[B-](CNC(=O)c1ccccc1Cl)(O)(O)O

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SMILES CANONICAL

CACTVS 3.352O[B-](O)(O)CNC(=O)c1ccccc1Cl
OpenEye OEToolkits 1.6.1[B-](CNC(=O)c1ccccc1Cl)(O)(O)O

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InChI

InChI 1.03InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1

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InChIKey

InChI 1.03QHCGFAIMVLWXJG-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-2y2h:
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA2)

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