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Chemical structure of N-(Mal-PEG6)-N-bis(PEG7-TCO)

GC67639

N-(Mal-PEG6)-N-bis(PEG7-TCO)

Also known as [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl-[3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

N-(Mal-PEG6)-N-bis(PEG7-TCO) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2093152-84-0MW1652.95FormulaC78H137N7O30
CAS number
2093152-84-0
Molecular weight
1652.95
Formula
C78H137N7O30
InChIKey
LXEACWVJIHRBDM-LEWNYYKSSA-N
Catalogue number
GC67639
Brand
GLPBIO
Computed properties PubChem CID 146026269 · XLogP -2.3 · TPSA 406 Ų · H-bond donors 5
XLogP
-2.3
TPSA
406 Ų
H-bond donors
5
H-bond acceptors
30
Rotatable bonds
82
Heavy atoms
115

SMILES C1CC(CC/C=C\C1)OC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCN(C(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)OC3CC/C=C\CCC3

Computed descriptors from PubChem (CID 146026269), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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