Compound ID | 2433

Update compound information

Sansanmycin analogue 17

Class: Antimicrobial peptide

Details of activity: Active against mycobacteria; targets translocase I (MurX) to inhibit mycobacterial cell wall synthesis
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: 895.02
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](CC3=CC4=CC=CC=C4C=C3)NC(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)NCC(C)(C)C)N(C)C(=O)CN
InChI Key: XWBWFAKFBOTJKQ-OFOXTFNLSA-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](CC3=CC4=C(C=CC=C4)C=C3)NC(=O)N[C@@H](CC5=CNC6=C5C=CC=C6)C(=O)NCC(C)(C)C)N(C)C(=O)CN
InChI: InChI=1S/C46H58N10O9/c1-26(55(5)38(59)22-47)39(42(62)49-24-31-21-36(57)43(65-31)56-17-16-37(58)53-45(56)64)54-41(61)34(19-27-14-15-28-10-6-7-11-29(28)18-27)51-44(63)52-35(40(60)50-25-46(2,3)4)20-30-23-48-33-13-9-8-12-32(30)33/h6-18,23,26,31,34-36,39,43,48,57H,19-22,24-25,47H2,1-5H3,(H,49,62)(H,50,60)(H,54,61)(H2,51,52,63)(H,53,58,64)/t26-,31+,34-,35-,36+,39-,43+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/135134651
Citations:
  • https://www.nature.com/articles/ncomms14414
  • https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c01407

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