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- ChemComp-IPP: (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: IPP
NameName: (P-iodophenylacetylamino)methylphosphinic acid

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Chemical information

Composition
Formula: C9H11INO3P / Number of atoms: 26 / Formula weight: 339.067 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: IPP / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / 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

ACDLabs 10.04Ic1ccc(cc1)CC(=O)NCP(=O)O
CACTVS 3.341O[PH](=O)CNC(=O)Cc1ccc(I)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)NCP(=O)O)I

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SMILES CANONICAL

CACTVS 3.341O[P@@H](=O)CNC(=O)Cc1ccc(I)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)NC[P@H](=O)O)I

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InChI

InChI 1.03InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14)

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InChIKey

InChI 1.03NJMHQBSYSLWOQF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(R)-({[(4-iodophenyl)acetyl]amino}methyl)phosphinic acid
OpenEye OEToolkits 1.5.0[2-(4-iodophenyl)ethanoylamino]methylphosphinic acid

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PDB entries

Showing all 1 items

PDB-1bls:
CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG

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