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KT2

CAT: 0931-TP3763-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3763-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1539295-32-3
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Bioactivity
KT2 is a cationic amphipathic antimicrobial peptide. It is capable of completely killing (E. coli) O157:H7 cells. KT2 exhibits strong antibiofilm activity, preventing the formation of E. coli O157:H7 biofilms. Additionally, KT2 effectively binds to LPS on bacterial surfaces, interacts with the lipids in liposomes, and displays high permeability, allowing it to penetrate bacterial cells and bind with DNA and other cytoplasmic membranes.
Smiles
C([C@@H](C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(N[C@H](C(N[C@H](C(N[C@@H](CC=3C=4C(NC3)=CC=CC4)C(N[C@@H](CC=5C=6C(NC5)=CC=CC6)C(N)=O)=O)=O)CCCCN)=O)CCCCN)=O)=O)NC([C@@H](NC([C@H](CC=7C=8C(NC7)=CC=CC8)NC([C@H](CC=9C=%10C(NC9)=CC=CC%10)NC([C@@H](NC([C@H](CC%11=CC=C(O)C=C%11)NC([C@@H](NC(=O)[C@H]%12N(C([C@@H](NC([C@@H](NC(CNC([C@H](CC(N)=O)N)=O)=O)C(C)C)=O)CCC(N)=O)=O)CCC%12)CCCCN)=O)=O)CCCCN)=O)=O)=O)CCCCN)=O)C=%13C=%14C(NC%13)=CC=CC%14
Molecular Formula
C126H165N31O20
Molecular Weight
2433.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Asn-Gly-Val-Gln-Pro-Lys-Tyr-Lys-Trp-Trp-Lys-Trp-Trp-Lys-Lys-Trp-Trp-NH2
CAS Number1539295-32-3
PubChem CID71814141
IUPAC Name(2S)-2-amino-N-[2-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]butanediamide
Molecular FormulaC126H165N31O20
Molecular Weight2433.9
XLogP3.1
Topological Polar Surface Area857
Hydrogen Bond Donor Count31
Hydrogen Bond Acceptor Count26
Rotatable Bond Count72
Heavy Atom Count177
Formal Charge0
Complexity5380
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C126H165N31O20/c1-71(2)110(156-109(161)70-142-112(163)86(132)63-108(134)160)125(176)148-98(48-49-107(133)159)126(177)157-55-25-43-106(157)124(175)147-97(42-19-24-54-131)117(168)150-100(56-72-44-46-79(158)47-45-72)118(169)144-95(40-17-22-52-129)115(166)152-104(61-77-68-140-91-36-13-7-30-84(77)91)122(173)155-102(59-75-66-138-89-34-11-5-28-82(75)89)120(171)146-96(41-18-23-53-130)116(167)153-105(62-78-69-141-92-37-14-8-31-85(78)92)123(174)154-101(58-74-65-137-88-33-10-4-27-81(74)88)119(170)145-93(38-15-20-50-127)113(164)143-94(39-16-21-51-128)114(165)151-103(60-76-67-139-90-35-12-6-29-83(76)90)121(172)149-99(111(135)162)57-73-64-136-87-32-9-3-26-80(73)87/h3-14,26-37,44-47,64-69,71,86,93-106,110,136-141,158H,15-25,38-43,48-63,70,127-132H2,1-2H3,(H2,133,159)(H2,134,160)(H2,135,162)(H,142,163)(H,143,164)(H,144,169)(H,145,170)(H,146,171)(H,147,175)(H,148,176)(H,149,172)(H,150,168)(H,151,165)(H,152,166)(H,153,167)(H,154,174)(H,155,173)(H,156,161)/t86-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,110-/m0/s1
InChIKey
BWWHLXNZVMJBIY-CCECGKGGSA-N
Chemical Structure
2D Structure
2D structure of H-Asn-Gly-Val-Gln-Pro-Lys-Tyr-Lys-Trp-Trp-Lys-Trp-Trp-Lys-Lys-Trp-Trp-NH2
CAS: 1539295-32-3
CID: 71814141
Formula: C126H165N31O20
MW: 2433.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2433.9
XLogP33.1
Hydrogen Bond Donor Count31
Hydrogen Bond Acceptor Count26
Rotatable Bond Count72
Exact Mass2433.2880716
Monoisotopic Mass2432.2847168
Topological Polar Surface Area857 Ų
Heavy Atom Count177
Formal Charge0
Complexity5380
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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