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PSI

CAT: 0931-T21510-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T21510-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158442-41-2
Target
Proteasome
Related Pathways
Proteases/Proteasome, Ubiquitination
Purity
0.9833
Bioactivity
PSI is a proteasome inhibitor.
Smiles
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=O
Molecular Formula
C32H50N4O8
Molecular Weight
618.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Z-Ile-Glu(OtBu)-Ala-Leu-aldehyde
CAS Number158442-41-2
PubChem CID9960660
IUPAC Nametert-butyl (4S)-5-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate
Molecular FormulaC32H50N4O8
Molecular Weight618.8
XLogP4.1
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Heavy Atom Count44
Formal Charge0
Complexity958
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C=O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C32H50N4O8/c1-9-21(4)27(36-31(42)43-19-23-13-11-10-12-14-23)30(41)35-25(15-16-26(38)44-32(6,7)8)29(40)33-22(5)28(39)34-24(18-37)17-20(2)3/h10-14,18,20-22,24-25,27H,9,15-17,19H2,1-8H3,(H,33,40)(H,34,39)(H,35,41)(H,36,42)/t21-,22-,24-,25-,27-/m0/s1
InChIKey
TYFTWYMXUWCOOB-YICLCXKGSA-N
Chemical Structure
2D Structure
2D structure of Z-Ile-Glu(OtBu)-Ala-Leu-aldehyde
CAS: 158442-41-2
CID: 9960660
Formula: C32H50N4O8
MW: 618.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.8
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Exact Mass618.36286457
Monoisotopic Mass618.36286457
Topological Polar Surface Area169 Ų
Heavy Atom Count44
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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