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Chemical structure of Bis-Mal-Lysine-PEG4-TFP ester

GC66561

Bis-Mal-Lysine-PEG4-TFP ester

Also known as (2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[[(2S)-2,6-bis[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Bis-Mal-Lysine-PEG4-TFP ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS1426164-53-5MW843.77FormulaC37H45F4N5O13
CAS number
1426164-53-5
Molecular weight
843.77
Formula
C37H45F4N5O13
InChIKey
QODWSCJQLAMMBN-SANMLTNESA-N
Catalogue number
GC66561
Brand
GLPBIO
Computed properties PubChem CID 117768133 · XLogP -1.1 · TPSA 225 Ų · H-bond donors 3
XLogP
-1.1
TPSA
225 Ų
H-bond donors
3
H-bond acceptors
17
Rotatable bonds
30
Heavy atoms
59

SMILES C1=CC(=O)N(C1=O)CCC(=O)NCCCC[C@@H](C(=O)NCCOCCOCCOCCOCCC(=O)OC2=C(C(=CC(=C2F)F)F)F)NC(=O)CCN3C(=O)C=CC3=O

Computed descriptors from PubChem (CID 117768133), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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