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ONX-0914 1mg

CAT: 0628-A12653-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
960374-59-8

Chemical Information

Onx-0914

immunoproteasome inhibitor; inhibits Lmp7 protein; structure in first source

CAS Number960374-59-8
PubChem CID46218908
IUPAC Name(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2S)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
Molecular FormulaC31H40N4O7
Molecular Weight580.7
XLogP1.9
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity928
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[C@@]3(CO3)C)NC(=O)CN4CCOCC4
InChI
InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31-/m0/s1
InChIKey
WQAVPPWWLLVGFK-FRDWYVIJSA-N
Chemical Structure
2D Structure
2D structure of Onx-0914
CAS: 960374-59-8
CID: 46218908
Formula: C31H40N4O7
MW: 580.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.7
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass580.28969963
Monoisotopic Mass580.28969963
Topological Polar Surface Area139 Ų
Heavy Atom Count42
Formal Charge0
Complexity928
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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