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VKGILS-NH2 TFA

CAT: 0931-T75903-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T75903-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2828432-41-1
Target
Others, Protease-activated Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
VKGILS-NH2 TFA is a reversed-sequence control peptide for SLIGKV-NH2, a protease-activated receptor 2 (PAR2) agonist. It demonstrates no impact on cellular DNA synthesis [1] [2].
Molecular Formula
C30H55F3N8O9
Molecular Weight
728.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vkgils-NH2 TFA
CAS Number2828432-41-1
PubChem CID169449468
IUPAC Name(2S)-6-amino-N-[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanamide;2,2,2-trifluoroacetic acid
Molecular FormulaC30H55F3N8O9
Molecular Weight728.8
Topological Polar Surface Area298
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count21
Heavy Atom Count50
Formal Charge0
Complexity1010
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C28H54N8O7.C2HF3O2/c1-7-17(6)23(28(43)34-19(12-15(2)3)26(41)35-20(14-37)24(31)39)36-21(38)13-32-25(40)18(10-8-9-11-29)33-27(42)22(30)16(4)5;3-2(4,5)1(6)7/h15-20,22-23,37H,7-14,29-30H2,1-6H3,(H2,31,39)(H,32,40)(H,33,42)(H,34,43)(H,35,41)(H,36,38);(H,6,7)/t17-,18-,19-,20-,22-,23-;/m0./s1
InChIKey
OYVIPQGJRABVBM-HZIHITNPSA-N
Chemical Structure
2D Structure
2D structure of Vkgils-NH2 TFA
CAS: 2828432-41-1
CID: 169449468
Formula: C30H55F3N8O9
MW: 728.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight728.8
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count21
Exact Mass728.40440985
Monoisotopic Mass728.40440985
Topological Polar Surface Area298 Ų
Heavy Atom Count50
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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