Compound ID | 2902

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Epifadin

Class: Membrane-active agent

Agent Type: Natural product; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Membrane-active agent
Target Pathogen: Active against Staphylococcus aureus
Description: Natural product from Staphylococcus epidermidis; peptide–polyene–tetramic acid; compound unstable and activity rapidly lost; reduces Staphylococcus aureus nasal colonisation in cotton rats
Institute where first reported: German Centre for Infection Research (DZIF), Partner Site Tübingen, Tübingen, 72076, Germany
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 966.09
Iso. SMILES: C/C(=C\C=C\C=C\C=C\CCCCCCC/C=C/C(=O)C1C(=O)C(NC1=O)CC(=O)O)/NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)N
InChI Key: UOZUXOSTOXOUIQ-BHQUSESZSA-N
Can. SMILES: C/C(=C\C=C\C=C\C=C\CCCCCCC/C=C/C(=O)C1C(=O)C(CC(=O)O)NC1=O)/NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)N
InChI: InChI=1S/C51H63N7O12/c1-33(22-16-12-10-8-6-4-2-3-5-7-9-11-13-21-27-41(59)45-46(65)37(31-43(61)62)55-51(45)70)54-48(67)39(30-42(53)60)57-50(69)40(32-44(63)64)58-49(68)38(29-35-25-19-15-20-26-35)56-47(66)36(52)28-34-23-17-14-18-24-34/h4,6,8,10,12,14-27,36-40,45H,2-3,5,7,9,11,13,28-32,52H2,1H3,(H2,53,60)(H,54,67)(H,55,70)(H,56,66)(H,57,69)(H,58,68)(H,61,62)(H,63,64)/b6-4+,10-8+,16-12+,27-21+,33-22+/t36-,37?,38+,39+,40-,45?/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/170453135
Citation: https://www.nature.com/articles/s41564-023-01544-2

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