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Temporin K

CAT: 0804-HY-P5599Size: 1 EachDry Ice: NoHazardous: No
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Description
Temporin K is an antimicrobial peptide against Legionella pneumophila[1].
CAS Number
188713-80-6
UNSPSC
12352209
Target
Bacterial
Type
Peptides
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/temporin-k.html
Solubility
10 mM in DMSO
Smiles
CC(C)C[C@@H](C(N)=O)NC([C@H](CC(C)C)NC([C@H](CO)NC([C@H](CCCCN)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CC(N)=O)NC([C@H]1N(CCC1)C([C@H](CC(C)C)NC([C@@H](N)CC(C)C)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C54H99N13O12
Molecular Weight
1122.44
References & Citations
[1]Simmaco M, et al. Temporins, antimicrobial peptides from the European red frog Rana temporaria. Eur J Biochem. 1996 Dec 15;242 (3) :788-92.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Temporin K
CAS Number188713-80-6
PubChem CID169450603
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]butanediamide
Molecular FormulaC54H99N13O12
Molecular Weight1122.4
XLogP0.3
Topological Polar Surface Area412
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Heavy Atom Count79
Formal Charge0
Complexity2040
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)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](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)N
InChI
InChI=1S/C54H99N13O12/c1-28(2)20-34(56)46(71)65-41(25-33(11)12)54(79)67-19-15-17-43(67)53(78)64-40(26-44(57)69)51(76)62-39(24-32(9)10)50(75)61-37(22-30(5)6)48(73)59-35(16-13-14-18-55)47(72)66-42(27-68)52(77)63-38(23-31(7)8)49(74)60-36(45(58)70)21-29(3)4/h28-43,68H,13-27,55-56H2,1-12H3,(H2,57,69)(H2,58,70)(H,59,73)(H,60,74)(H,61,75)(H,62,76)(H,63,77)(H,64,78)(H,65,71)(H,66,72)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
AAENQXMXNKLKKL-IJXJCFDCSA-N
Chemical Structure
2D Structure
2D structure of Temporin K
CAS: 188713-80-6
CID: 169450603
Formula: C54H99N13O12
MW: 1122.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1122.4
XLogP30.3
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Exact Mass1121.75361564
Monoisotopic Mass1121.75361564
Topological Polar Surface Area412 Ų
Heavy Atom Count79
Formal Charge0
Complexity2040
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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