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- ChemComp-OHV: benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate -

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Basic information

EntryDatabase: PDB chemical components / ID: OHV
NameName: benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate

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Chemical information

Composition
Formula: C16H21N3O3 / Number of atoms: 43 / Formula weight: 303.356 / Formal charge: 0
Others

6pg5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OHV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6PG5
History
Create componentJun 25, 2019
Initial releaseDec 11, 2019
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

ACDLabs 12.01C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2
CACTVS 3.385OCc1[nH]c(CCCCNC(=O)OCc2ccccc2)nc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO

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SMILES CANONICAL

CACTVS 3.385OCc1[nH]c(CCCCNC(=O)OCc2ccccc2)nc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO

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InChI

InChI 1.03InChI=1S/C16H21N3O3/c20-11-14-10-18-15(19-14)8-4-5-9-17-16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,10,20H,4-5,8-9,11-12H2,(H,17,21)(H,18,19)

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InChIKey

InChI 1.03NIZFBMMWDHTIBI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
OpenEye OEToolkits 2.0.7(phenylmethyl) ~{N}-[4-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]carbamate

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PDB entries

Showing all 1 items

PDB-6pg5:
WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate

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