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- ChemComp-KCZ: 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol -

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Basic information

EntryDatabase: PDB chemical components / ID: KCZ
NameName: 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol

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Chemical information

Composition
Formula: C17H21NO2 / Number of atoms: 41 / Formula weight: 271.354 / Formal charge: 0
Others

6rp3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KCZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RP3
History
Create componentMay 13, 2019
Initial releaseOct 9, 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

CACTVS 3.385C[CH](CNCCc1ccc(O)c(O)c1)c2ccccc2
OpenEye OEToolkits 2.0.7CC(CNCCc1ccc(c(c1)O)O)c2ccccc2

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SMILES CANONICAL

CACTVS 3.385C[C@@H](CNCCc1ccc(O)c(O)c1)c2ccccc2
OpenEye OEToolkits 2.0.7C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2

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InChI

InChI 1.03InChI=1S/C17H21NO2/c1-13(15-5-3-2-4-6-15)12-18-10-9-14-7-8-16(19)17(20)11-14/h2-8,11,13,18-20H,9-10,12H2,1H3/t13-/m0/s1

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InChIKey

InChI 1.03NXTJHSKVIAFFNX-ZDUSSCGKSA-N

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PDB entries

Showing all 1 items

PDB-6rp3:
Truncated Norcoclaurine synthase with reaction intermediate mimic

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