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Synonyms: espinomycin A | platenomycin B1 | rubimycin | SF-837 | turimycin P3
midecamycin is an approved drug
Comment: Midecamycin is a 16-membered macrolide antibacterial, originally isolated from culture broth of Streptomyces mycarofaciens [ 1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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16
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Hydrogen bond donors
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3
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Rotatable bonds
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14
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Topological polar surface area
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206.05
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Molecular weight
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813.97
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XLogP
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2.13
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No. Lipinski's rules broken
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3
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@@H]([C@H](C)C[C@H](CC=O)[C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C)O2)O[C@H]3C[C@](C)([C@H]([C@H](C)O3)OC(=O)CC)O)N(C)C)O)O
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Isomeric SMILES
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CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C
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InChI
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InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
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InChI Key
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DMUAPQTXSSNEDD-QALJCMCCSA-N
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