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Ac-VLPE-FMK

CAT: 0931-T78186-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78186-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2679825-27-3
Target
Cysteine Protease
Related Pathways
Proteases/Proteasome
Bioactivity
Ac-VLPE-FMK, a tetrapeptidyl mono-fluoromethyl ketone (m-FMK), inhibits Cathepsin B (Cat-B) and Cathepsin L (Cat-L) and is used in cancer aggressiveness research [1] [2].
Smiles
C([C@@H](NC([C@@H](NC(C)=O)[C@@H](C)C)=O)CC(C)C)(=O)N1[C@H](C(N[C@@H](CCC(OC)=O)C(CF)=O)=O)CCC1
Molecular Formula
C25H41FN4O7
Molecular Weight
528.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ac-VLPE-FMK
CAS Number2679825-27-3
PubChem CID168355663
IUPAC Namemethyl (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-6-fluoro-5-oxohexanoate
Molecular FormulaC25H41FN4O7
Molecular Weight528.6
XLogP0
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count37
Formal Charge0
Complexity849
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)OC)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)C
InChI
InChI=1S/C25H41FN4O7/c1-14(2)12-18(29-24(35)22(15(3)4)27-16(5)31)25(36)30-11-7-8-19(30)23(34)28-17(20(32)13-26)9-10-21(33)37-6/h14-15,17-19,22H,7-13H2,1-6H3,(H,27,31)(H,28,34)(H,29,35)/t17-,18-,19-,22-/m0/s1
InChIKey
MDAFONIYDVLMOY-OZIGNCPNSA-N
Chemical Structure
2D Structure
2D structure of Ac-VLPE-FMK
CAS: 2679825-27-3
CID: 168355663
Formula: C25H41FN4O7
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass528.29592782
Monoisotopic Mass528.29592782
Topological Polar Surface Area151 Ų
Heavy Atom Count37
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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