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PR-893

CAT: 1410-M11800Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M11800Size:1 Each
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Description
A potent, specific immunoproteasome β5 subunit inhibitor with IC50 of 17 nM.
CAS Number
1426305-23-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
478.546
Molecular Formula
C23H34N4O7
Notes
Research use only, not for human use.
Receptor
Proteasome

Chemical Information

N-((S)-1-(((S)-1-Cyclopropyl-2-(((S)-4-methyl-1-((S)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-3-methoxy-1-oxopropan-2-yl)-5-methylisoxazole-3-carboxamide
CAS Number1426305-23-8
PubChem CID155905602
IUPAC NameN-[(2S)-1-[[(1S)-1-cyclopropyl-2-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Molecular FormulaC23H34N4O7
Molecular Weight478.5
XLogP1.1
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity787
SMILES
CC1=CC(=NO1)C(=O)N[C@@H](COC)C(=O)N[C@@H](C2CC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]3(CO3)C
InChI
InChI=1S/C23H34N4O7/c1-12(2)8-15(19(28)23(4)11-33-23)24-22(31)18(14-6-7-14)26-21(30)17(10-32-5)25-20(29)16-9-13(3)34-27-16/h9,12,14-15,17-18H,6-8,10-11H2,1-5H3,(H,24,31)(H,25,29)(H,26,30)/t15-,17-,18-,23-/m0/s1
InChIKey
GMSFWMWCKVMRRZ-YWYGCRHHSA-N
Chemical Structure
2D Structure
2D structure of N-((S)-1-(((S)-1-Cyclopropyl-2-(((S)-4-methyl-1-((S)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-3-methoxy-1-oxopropan-2-yl)-5-methylisoxazole-3-carboxamide
CAS: 1426305-23-8
CID: 155905602
Formula: C23H34N4O7
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass478.24274944
Monoisotopic Mass478.24274944
Topological Polar Surface Area152 Ų
Heavy Atom Count34
Formal Charge0
Complexity787
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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