Compound ID | 2440

Update compound information

KL-L9P

Class: Antimicrobial peptide

Spectrum of activity: Gram-negative
Details of activity: Active against Escherichia coli; membrane-active agent (perturbs but does not disrupt outer membrane)
Description: Synthetic compound; sensitizes Escherichia coli to Gram-positive antibiotics
Year first mentioned: 2020
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1717.32
Iso. SMILES: CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
InChI Key: YTMLCUKPEWYIRX-IFKSJJNMSA-N
Can. SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C
InChI: InChI=1S/C85H161N21O15/c1-50(2)43-64(77(113)94-58(72(92)108)29-16-22-36-86)102-82(118)68(47-54(9)10)100-76(112)62(33-20-26-40-90)97-80(116)70(49-56(13)14)105-84(120)71-35-28-42-106(71)85(121)63(34-21-27-41-91)98-74(110)60(31-18-24-38-88)95-78(114)65(44-51(3)4)104-83(119)69(48-55(11)12)101-75(111)61(32-19-25-39-89)96-79(115)66(45-52(5)6)103-81(117)67(46-53(7)8)99-73(109)59(93-57(15)107)30-17-23-37-87/h50-56,58-71H,16-49,86-91H2,1-15H3,(H2,92,108)(H,93,107)(H,94,113)(H,95,114)(H,96,115)(H,97,116)(H,98,110)(H,99,109)(H,100,112)(H,101,111)(H,102,118)(H,103,117)(H,104,119)(H,105,120)/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.0c01506

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