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- ChemComp-6ZR: (3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimeth... -

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Basic information

EntryDatabase: PDB chemical components / ID: 6ZR
NameName: (3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

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Chemical information

Composition
Formula: C20H23NO6 / Number of atoms: 50 / Formula weight: 373.4 / Formal charge: 0
Others

5gon

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6ZR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5GON
History
Create componentAug 2, 2016
Initial releaseMar 22, 2017
External linksUniChem / ChemSpider / ChEMBL / Nikkaji / PubChem / SureChEMBL / 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

CACTVS 3.385COc1ccc(cc1O)[CH]2[CH](C)C(=O)N2c3cc(OC)c(OC)c(OC)c3
OpenEye OEToolkits 2.0.5CC1C(N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1O)[C@H]2[C@@H](C)C(=O)N2c3cc(OC)c(OC)c(OC)c3
OpenEye OEToolkits 2.0.5C[C@@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC

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InChI

InChI 1.03InChI=1S/C20H23NO6/c1-11-18(12-6-7-15(24-2)14(22)8-12)21(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-11,18,22H,1-5H3/t11-,18-/m1/s1

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InChIKey

InChI 1.03KLFAJLHIJQPMNJ-ADLMAVQZSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.5(3~{R},4~{R})-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

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PDB entries

Showing all 1 items

PDB-5gon:
Structures of a beta-lactam bridged analogue in complex with tubulin

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