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- ChemComp-ODZ: 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanyli... -

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Basic information

EntryDatabase: PDB chemical components / ID: ODZ
NameName: 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide

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Chemical information

Composition
Formula: C14H17NO4 / Number of atoms: 36 / Formula weight: 263.289 / Formal charge: 0
Others

6y6u

Type: non-polymer / PDB classification: HETAIN / Three letter code: ODZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Y6U
History
Create componentFeb 28, 2020
Initial releaseJun 24, 2020
External linksUniChem / ChemSpider / PubChem / 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 3.385C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O
OpenEye OEToolkits 2.0.7CC(CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O

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SMILES CANONICAL

CACTVS 3.385C[C@@](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O
OpenEye OEToolkits 2.0.7C[C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O

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InChI

InChI 1.03InChI=1S/C14H17NO4/c1-10(17)8-14(2,9-16)15-13(19)7-11-3-5-12(18)6-4-11/h3-6,9,17-18H,1,7-8H2,2H3,(H,15,19)/t14-/m0/s1

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InChIKey

InChI 1.03RSUSHGHDXWZFTH-AWEZNQCLSA-N

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PDB entries

Showing all 1 items

PDB-6y6u:
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6

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