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The K4 peptide

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Description
The K4 peptide is an antimicrobial peptide with strong activity against Gram-positive and Gram-negative bacteria, including human pathogenic bacteria, such as Staphylococcus aureus and Marine Vibrio bacteria[1].
CAS Number
1163064-86-5
UNSPSC
12352209
Target
Bacterial
Type
Peptides
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/the-k4-peptide.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N1[C@@H](CCC1)C(N[C@@H](CC(C)C)C(N[C@@H](CC2=CC=CC=C2)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC4=CC=CC=C4)C(NCC(N[C@@H](CC(C)C)C(N[C@@H](CC5=CC=CC=C5)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CCCCN)N
Molecular Formula
C87H132N18O15
Molecular Weight
1670.09
References & Citations
[1]Duval E, et al. KKKKPLFGLFFGLF: a cationic peptide designed to exert antibacterial activity. Peptides. 2009 Sep;30 (9) :1608-12.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

The K4 peptide
CAS Number1163064-86-5
PubChem CID91298420
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC87H132N18O15
Molecular Weight1670.1
XLogP1.1
Topological Polar Surface Area537
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count20
Rotatable Bond Count56
Heavy Atom Count120
Formal Charge0
Complexity3180
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)CNC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C87H132N18O15/c1-55(2)46-66(81(113)102-71(51-60-32-15-9-16-33-60)84(116)101-70(50-59-30-13-8-14-31-59)78(110)94-54-75(107)96-67(47-56(3)4)82(114)104-72(87(119)120)52-61-34-17-10-18-35-61)95-74(106)53-93-77(109)69(49-58-28-11-7-12-29-58)100-83(115)68(48-57(5)6)103-85(117)73-40-27-45-105(73)86(118)65(39-22-26-44-91)99-80(112)64(38-21-25-43-90)98-79(111)63(37-20-24-42-89)97-76(108)62(92)36-19-23-41-88/h7-18,28-35,55-57,62-73H,19-27,36-54,88-92H2,1-6H3,(H,93,109)(H,94,110)(H,95,106)(H,96,107)(H,97,108)(H,98,111)(H,99,112)(H,100,115)(H,101,116)(H,102,113)(H,103,117)(H,104,114)(H,119,120)/t62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
InChIKey
VAJSRLFANUUQQI-NOAXZGPNSA-N
Chemical Structure
2D Structure
2D structure of The K4 peptide
CAS: 1163064-86-5
CID: 91298420
Formula: C87H132N18O15
MW: 1670.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1670.1
XLogP31.1
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count20
Rotatable Bond Count56
Exact Mass1669.01195558
Monoisotopic Mass1669.01195558
Topological Polar Surface Area537 Ų
Heavy Atom Count120
Formal Charge0
Complexity3180
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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