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- ChemComp-71E: DZ 2384 -

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Basic information

EntryDatabase: PDB chemical components / ID: 71E
NameName: dz 2384
Synonyms: optimized synthetic derivative of diazonamide AB-5

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Chemical information

Composition
Formula: C34H36FN5O7 / Number of atoms: 83 / Formula weight: 645.677 / Formal charge: 0
Others

5lov

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 71E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5LOV
History
Create componentAug 11, 2016
Modify nameAug 17, 2016
Initial releaseNov 30, 2016
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / 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 3.385CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2
OpenEye OEToolkits 2.0.5CC(C)C(C(=O)NC1Cc2ccc3c(c2)C4(c5cc(ccc5NC4O3)F)c6c(nc(o6)C(NC1=O)C(C)(C)C)c7nc(co7)CO)O

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SMILES CANONICAL

CACTVS 3.385CC(C)[C@@H](O)C(=O)N[C@H]1Cc2ccc3O[C@H]4Nc5ccc(F)cc5[C@@]4(c6oc(nc6c7occ(CO)n7)[C@@H](NC1=O)C(C)(C)C)c3c2
OpenEye OEToolkits 2.0.5CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O

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InChI

InChI 1.03InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1

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InChIKey

InChI 1.03ASKSNRMVOUTNLC-SEOXBTAJSA-N

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PDB entries

Showing all 1 items

PDB-5lov:
DZ-2384 tubulin complex

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