Compound ID | 2135

Update compound information

Brevibacillin and analogues

Class: Lipopeptide

Agent Type: Natural product; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Membrane-active agent. Disrupts the integrity of the outer membrane and leads to cell membrane permeation and disintegration
Description: Natural product produced by Bacillus; cationic nonribosomal peptide
Year first mentioned: 2016
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1570.06
Iso. SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(C)C)NC(=O)C(CCCN)NC(=O)C(CC(C)C)NC(=O)/C(=C\C)/NC(=O)C(C(C)CC)O
InChI Key: WDUFQGPNEYUNMM-ZSPMQPQXSA-N
Can. SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(C)C)NC(=O)C(CCCN)NC(=O)C(CC(C)C)NC(=O)/C(=C\C)/NC(=O)C(C(C)CC)O
InChI: InChI=1S/C79H140N16O16/c1-20-49(18)65(95-70(102)56(30-27-37-82)84-71(103)57(38-42(4)5)87-67(99)53(22-3)83-79(111)66(98)50(19)21-2)78(110)94-64(48(16)17)77(109)93-62(46(12)13)75(107)86-55(29-24-26-36-81)69(101)91-63(47(14)15)76(108)92-61(45(10)11)74(106)85-54(28-23-25-35-80)68(100)89-59(40-51-31-33-52(97)34-32-51)73(105)88-58(39-43(6)7)72(104)90-60(41-96)44(8)9/h22,31-34,42-50,54-66,96-98H,20-21,23-30,35-41,80-82H2,1-19H3,(H,83,111)(H,84,103)(H,85,106)(H,86,107)(H,87,99)(H,88,105)(H,89,100)(H,90,104)(H,91,101)(H,92,108)(H,93,109)(H,94,110)(H,95,102)/b53-22+
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/146682781
Citation: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4836408/

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