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- ChemComp-L63: N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-... -

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Basic information

EntryDatabase: PDB chemical components / ID: L63
NameName: N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide

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Chemical information

Composition
Formula: C17H18N2O4 / Number of atoms: 41 / Formula weight: 314.336 / Formal charge: 0
Others

4fw7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L63 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4FW7
History
Create componentJul 13, 2012
Initial releaseMay 15, 2013
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(NC(C(=O)NO)C(O)C)c2ccc(c1ccccc1)cc2
CACTVS 3.370C[CH](O)[CH](NC(=O)c1ccc(cc1)c2ccccc2)C(=O)NO
OpenEye OEToolkits 1.7.6CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O

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SMILES CANONICAL

CACTVS 3.370C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)c2ccccc2)C(=O)NO
OpenEye OEToolkits 1.7.6C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2ccccc2)O

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InChI

InChI 1.03InChI=1S/C17H18N2O4/c1-11(20)15(17(22)19-23)18-16(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22)/t11-,15+/m1/s1

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InChIKey

InChI 1.03AXQUTBMFDJGETC-ABAIWWIYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
OpenEye OEToolkits 1.7.6N-[(2S,3R)-3-oxidanyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-phenyl-benzamide

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PDB entries

Showing all 1 items

PDB-4fw7:
Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor

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