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RW3

CAT: 0931-TP2665-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2665-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
359632-11-4
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
RW3 is a cationic hexapeptide with amphiphilic properties that targets the bacterial plasma membrane, inhibiting cell respiration and cell wall synthesis. It demonstrates strong activity against gram-positive bacteria without significant cytotoxic or hemolytic effects as shown in prior studies. RW3 rapidly eliminates 97% of initial colony-forming units (CFU) within 10 minutes at twice the minimum inhibitory concentration (MIC) . It is applicable in antimicrobial and antifungal research.
Smiles
C([C@H](NC([C@@H](NC([C@H](CC=1C=2C(NC1)=CC=CC2)NC([C@H](CCCNC(=N)N)N)=O)=O)CCCNC(=N)N)=O)C(N[C@H](C(N[C@@H](CC=3C=4C(NC3)=CC=CC4)C(N)=O)=O)CCCNC(=N)N)=O)C=5C=6C(NC5)=CC=CC6
Molecular Formula
C51H69N19O6
Molecular Weight
1044.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RW3 (trifluoroacetate salt)
CAS Number359632-11-4
PubChem CID10396307
IUPAC Name(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular FormulaC51H69N19O6
Molecular Weight1044.2
XLogP-1.1
Topological Polar Surface Area455
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count10
Rotatable Bond Count29
Heavy Atom Count76
Formal Charge0
Complexity2030
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C51H69N19O6/c52-34(13-7-19-60-49(54)55)44(72)69-41(23-29-26-64-36-15-5-2-11-32(29)36)47(75)67-39(18-9-21-62-51(58)59)46(74)70-42(24-30-27-65-37-16-6-3-12-33(30)37)48(76)66-38(17-8-20-61-50(56)57)45(73)68-40(43(53)71)22-28-25-63-35-14-4-1-10-31(28)35/h1-6,10-12,14-16,25-27,34,38-42,63-65H,7-9,13,17-24,52H2,(H2,53,71)(H,66,76)(H,67,75)(H,68,73)(H,69,72)(H,70,74)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t34-,38-,39-,40-,41-,42-/m0/s1
InChIKey
DFJJRDKPFYRDNH-XLAHBAAGSA-N
Chemical Structure
2D Structure
2D structure of RW3 (trifluoroacetate salt)
CAS: 359632-11-4
CID: 10396307
Formula: C51H69N19O6
MW: 1044.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1044.2
XLogP3-1.1
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count10
Rotatable Bond Count29
Exact Mass1043.56782100
Monoisotopic Mass1043.56782100
Topological Polar Surface Area455 Ų
Heavy Atom Count76
Formal Charge0
Complexity2030
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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