Compound ID | 3278

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Semduramicin

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule;
Spectrum of activity: Gram-positive
Mechanism of action: Unknown
Target Pathogen: Active against streptococci, Clostridium difficile, and Clostridium perfringens
Description: Synthetic compound (ionophore); semi-synthetic production of compound can be achieved by mutant Actinomadura roseorufa
Institute where first reported: Central Research Division, Pfizer Inc.
Year first mentioned: 1992
Development status: Experimental
Chemical structure(s):
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Molecular weight: 873.08
Iso. SMILES: C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)O)OC)C)O)C)C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)(C)O)C
InChI Key: WINSLRIENGBHSH-ASZYJFLUSA-N
Can. SMILES: C[C@H]1C[C@@H](C)[C@@](C)(O)O[C@@H]1[C@H]2C[C@@H]([C@H]([C@]3(C)CC[C@H]([C@]4(C)CC[C@]5(C[C@@H]([C@@H](C)[C@@H]([C@@H](C)[C@H]6[C@@H]([C@H]([C@H](C)[C@](CC(=O)O)(O)O6)O)OC)O5)O)O4)O3)O2)O[C@H]7CC[C@@H]([C@@H](C)O7)OC
InChI: InChI=1S/C45H76O16/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48)/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/71327
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/45/5/45_5_813/_article

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