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Chemical structure of Mal-amido-PEG8-NHS ester

GC63659

Mal-amido-PEG8-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Mal-amido-PEG8-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS756525-93-6MW689.71FormulaC30H47N3O15
CAS number
756525-93-6
Molecular weight
689.71
Formula
C30H47N3O15
Solubility
DMSO : ≥ 100 mg/mL (144·99 mM)
InChIKey
MTPWCXBUZLEBDD-UHFFFAOYSA-N
Catalogue number
GC63659
Brand
GLPBIO
Computed properties PubChem CID 57568672 · XLogP -3.5 · TPSA 204 Ų · H-bond donors 1
XLogP
-3.5
TPSA
204 Ų
H-bond donors
1
H-bond acceptors
15
Rotatable bonds
32
Heavy atoms
48

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O

Computed descriptors from PubChem (CID 57568672), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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