Compound ID | 2130

Update compound information

Relacidine and analogues

Class: Lipopeptide

Spectrum of activity: Gram-negative
Details of activity: Disrupts the integrity of the outer membrane by hyperpolarization of the cellular membrane and possibly additional modes of action. Active against enterobacterales and non-fermenters.
Description: Natural product produced by Brevibacillus; cationic nonribosomal peptide, cyclic depsipeptides, synthetic derivatives
Year first mentioned: 2018
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1620.85
Iso. SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](CCCN)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@@H](CC6=CC=C(C=C6)O)NC(=O)[C@@H](CO)NC(=O)CCC(C)CC)C)C)CO)CC(=O)N
InChI Key: SLIDJTHNEAILBF-NPAOMGBPSA-N
Can. SMILES: CCC(C)CCC(=O)N[C@H](CO)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@H]6[C@@H](C)OC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC6=O
InChI: InChI=1S/C78H113N19O19/c1-7-41(3)23-28-63(102)88-60(39-98)75(112)91-56(32-45-24-26-48(100)27-25-45)70(107)93-57(33-46-36-83-51-18-11-9-16-49(46)51)71(108)90-55(22-15-31-81)69(106)89-53(20-13-29-79)67(104)85-38-64(103)87-54(21-14-30-80)68(105)92-58(34-47-37-84-52-19-12-10-17-50(47)52)73(110)97-66-44(6)116-78(115)43(5)86-74(111)61(40-99)95-72(109)59(35-62(82)101)94-76(113)65(42(4)8-2)96-77(66)114/h9-12,16-19,24-27,36-37,41-44,53-61,65-66,83-84,98-100H,7-8,13-15,20-23,28-35,38-40,79-81H2,1-6H3,(H2,82,101)(H,85,104)(H,86,111)(H,87,103)(H,88,102)(H,89,106)(H,90,108)(H,91,112)(H,92,105)(H,93,107)(H,94,113)(H,95,109)(H,96,114)(H,97,110)/t41?,42-,43-,44+,53-,54+,55+,56+,57+,58-,59-,60+,61-,65-,66-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/171378319
Citations:
  • https://ami-journals.onlinelibrary.wiley.com/doi/full/10.1111/1462-2920.15145
  • https://pubmed.ncbi.nlm.nih.gov/37000899/
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7688214/
  • https://www.nature.com/articles/s41467-018-05781-6

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