Compound | AntibioticDB

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 developmental phase:	Preclinical
Development status:	Active (as of 2022)

Chemical structure(s):

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/

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