Compound ID | 2432

Update compound information

Sansanmycin analogue 9

Class: Antimicrobial peptide

Agent Type: Semisynthetic; Small molecule; Direct acting;
Spectrum of activity: Antimycobacterial
Mechanism of action: Cell wall synthesis inhibitor. Targets translocase I (MurX) to inhibit mycobacterial cell wall synthesis
Target Pathogen: Active against mycobacteria
Description: Synthetic compound based on natural product sansamycin from soil Streptomyces; analogues reported
Year first mentioned: 2017
Development status: Experimental
Chemical structure(s):
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Molecular weight: 851
Iso. SMILES: C[C@@H]([C@@H](C(=O)NC[C@H]1C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](CC3CCCCC3)NC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)NCC(C)(C)C)N(C)C(=O)CN
InChI Key: FYKJPIQKPMKXBF-QOUHUBSXSA-N
Can. SMILES: C[C@@H]([C@@H](C(=O)NC[C@H]1C[C@H]([C@H](N2C=CC(=O)NC2=O)O1)O)NC(=O)[C@H](CC3CCCCC3)NC(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)NCC(C)(C)C)N(C)C(=O)CN
InChI: InChI=1S/C42H62N10O9/c1-24(51(5)34(55)20-43)35(38(58)45-22-27-19-32(53)39(61-27)52-16-15-33(54)49-41(52)60)50-37(57)30(17-25-11-7-6-8-12-25)47-40(59)48-31(36(56)46-23-42(2,3)4)18-26-21-44-29-14-10-9-13-28(26)29/h9-10,13-16,21,24-25,27,30-32,35,39,44,53H,6-8,11-12,17-20,22-23,43H2,1-5H3,(H,45,58)(H,46,56)(H,50,57)(H2,47,48,59)(H,49,54,60)/t24-,27+,30-,31-,32+,35-,39+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/135134650
Citations:
  • https://www.nature.com/articles/ncomms14414
  • https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c01407

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