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Boc-NH-PEG15-NH2

CAT: 0013-GTR19225787Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225787Size:2 mg
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Description
Boc-NH-PEG15-NH2 is a heterobifunctional PEG linker used to construct PROTAC molecules for targeted protein degradation. Its flexible, hydrophilic spacer is crucial for optimizing ternary complex formation and degradation efficiency in both cellular and in vivo PROTAC research.
CAS Number
2222566-55-2
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
Molecular Formula
C37H76N2O17
Molecular Weight
821
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Boc-NH-PEG15-NH2
CAS Number2222566-55-2
PubChem CID91757821
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC37H76N2O17
Molecular Weight821.0
XLogP-2.2
Topological Polar Surface Area203
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count49
Heavy Atom Count56
Formal Charge0
Complexity771
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C37H76N2O17/c1-37(2,3)56-36(40)39-5-7-42-9-11-44-13-15-46-17-19-48-21-23-50-25-27-52-29-31-54-33-35-55-34-32-53-30-28-51-26-24-49-22-20-47-18-16-45-14-12-43-10-8-41-6-4-38/h4-35,38H2,1-3H3,(H,39,40)
InChIKey
RTWNWTAZZLCVOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Boc-NH-PEG15-NH2
CAS: 2222566-55-2
CID: 91757821
Formula: C37H76N2O17
MW: 821.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight821.0
XLogP3-2.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count49
Exact Mass820.51439896
Monoisotopic Mass820.51439896
Topological Polar Surface Area203 Ų
Heavy Atom Count56
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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