Compound ID | 2267

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Tridecaptin A1

Class: Lipopeptide

Spectrum of activity: Gram-negative
Details of activity: Active against Klebsiella pneumoniae, Acinetobacter baumannii, and Escherichia coli; binds to lipid II in Gram-negative inner membrane and disrupts proton motive force
Description: Natural product from Bacillus and Paenibacillus sp.
Year first mentioned: 2016
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1550.8
Iso. SMILES: CC[C@H](C)CC[C@H](CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CCN)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCN)C(=O)N[C@H](CCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O)O
InChI Key: BFWVEYLLAWYDQP-WSNTWWIMSA-N
Can. SMILES: CC[C@H](C)CC[C@H](CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CCN)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCN)C(=O)N[C@H](CCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O)O
InChI: InChI=1S/C73H115N17O20/c1-10-40(7)21-22-45(93)33-56(94)88-59(38(3)4)70(106)84-49(25-28-74)62(98)78-35-57(95)80-54(36-91)68(104)86-53(32-44-34-77-47-20-16-15-19-46(44)47)67(103)87-55(37-92)69(105)83-50(26-29-75)63(99)82-51(27-30-76)64(100)85-52(31-43-17-13-12-14-18-43)66(102)81-48(23-24-58(96)97)65(101)89-60(39(5)6)71(107)90-61(41(8)11-2)72(108)79-42(9)73(109)110/h12-20,34,38-42,45,48-55,59-61,77,91-93H,10-11,21-33,35-37,74-76H2,1-9H3,(H,78,98)(H,79,108)(H,80,95)(H,81,102)(H,82,99)(H,83,105)(H,84,106)(H,85,100)(H,86,104)(H,87,103)(H,88,94)(H,89,101)(H,90,107)(H,96,97)(H,109,110)/t40-,41-,42-,45+,48-,49+,50-,51+,52-,53+,54+,55-,59+,60-,61+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/76332415
Citations:
  • https://pubmed.ncbi.nlm.nih.gov/24382692/
  • https://pubs.acs.org/doi/10.1021/jm401779d
  • https://www.jstage.jst.go.jp/article/antibiotics1968/31/7/31_7_646/_article
  • https://www.pnas.org/doi/10.1073/pnas.1608623113

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