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- ChemComp-SNZ: N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea -

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Basic information

EntryDatabase: PDB chemical components / ID: SNZ
NameName: N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea

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Chemical information

Composition
Formula: C15H16N2O5 / Number of atoms: 38 / Formula weight: 304.298 / Formal charge: 0
Others

6ubv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SNZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6UBV
History
Create componentSep 19, 2019
Initial releaseSep 16, 2020
External linksUniChem / ChemSpider / PubChem / PubChem_TPharma / SureChEMBL / 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 12.01N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O
CACTVS 3.385Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O
OpenEye OEToolkits 2.0.7c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O
OpenEye OEToolkits 2.0.7c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O

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InChI

InChI 1.03InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22)

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InChIKey

InChI 1.03XPAUTCCLOUPUGJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea
OpenEye OEToolkits 2.0.71-[3,4-bis(oxidanyl)phenyl]-3-[2-[3,4-bis(oxidanyl)phenyl]ethyl]urea

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PDB entries

Showing all 1 items

PDB-6ubv:
The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin

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