Compound ID | 1796

Update compound information

Octapeptin

Synonym(s): FADDI-118

Class: Lipopeptide

Spectrum of activity: Gram-negative
Details of activity: Active against Enterobacteriaceae and non-fermenters. Engineered peptide
Description: Analogs derived from natural octapeptin (octapeptin C4), chemical synthesis, structurally related to colistin. Received CARB-X funding
Institute where first reported: University of Queensland
Year first mentioned: 2018
Highest development stage: Preclinical
Development status: Active (as of 2022)
Chemical structure(s):
Click here for structure editor
Molecular weight: 1024.35
Iso. SMILES: CCC(C)CCCCC(CC(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)CCN)CC(C)C)CC(C)C)CCN)CCN)CC(C)C)O
InChI Key: XXJAQSYTQPWWKU-QVRBQHTBSA-N
Can. SMILES: CCC(C)CCCCC(CC(=O)N[C@H]1CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O)O
InChI: InChI=1S/C49H93N13O10/c1-9-31(8)12-10-11-13-32(63)27-41(64)55-37-18-23-54-42(65)38(24-28(2)3)60-45(68)35(16-21-52)56-44(67)34(15-20-51)59-48(71)39(25-29(4)5)62-49(72)40(26-30(6)7)61-46(69)36(17-22-53)57-43(66)33(14-19-50)58-47(37)70/h28-40,63H,9-27,50-53H2,1-8H3,(H,54,65)(H,55,64)(H,56,67)(H,57,66)(H,58,70)(H,59,71)(H,60,68)(H,61,69)(H,62,72)/t31?,32?,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/3084738
Citations:
  • https://pubs.acs.org/doi/10.1021/acsinfecdis.7b00065
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6376851/
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6560181/
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6560181/

    • AntibioticDB is supported by GARDP.

    If you have feedback, experience problems, or are interested in a collaboration, please contact us. | Terms and conditions

    The content of this site is intended for educational and scientific research purposes only and not as a source of medical advice or consultation.