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- ChemComp-WH7: (2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: WH7
NameName: (2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol

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Chemical information

Composition
Formula: C10H13Cl2NO / Number of atoms: 27 / Formula weight: 234.122 / Formal charge: 0
Others

5rz4

Type: non-polymer / PDB classification: HETAIN / Three letter code: WH7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RZ4
History
Create componentOct 30, 2020
Initial releaseNov 11, 2020
External linksUniChem / ChemSpider / PubChem / ZINC / 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 12.01c1(c(cccc1Cl)Cl)CNCC(C)O
CACTVS 3.385C[CH](O)CNCc1c(Cl)cccc1Cl
OpenEye OEToolkits 2.0.7CC(CNCc1c(cccc1Cl)Cl)O

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SMILES CANONICAL

CACTVS 3.385C[C@@H](O)CNCc1c(Cl)cccc1Cl
OpenEye OEToolkits 2.0.7C[C@@H](CNCc1c(cccc1Cl)Cl)O

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InChI

InChI 1.03InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1

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InChIKey

InChI 1.03BNJMFYUVZZATLR-SSDOTTSWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
OpenEye OEToolkits 2.0.7(2~{S})-1-[[2,6-bis(chloranyl)phenyl]methylamino]propan-2-ol

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PDB entries

Showing all 1 items

PDB-5rz4:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434909

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