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Chemical structure of PC Methyltetrazine-PEG4-NHS carbonate ester

GC66854

PC Methyltetrazine-PEG4-NHS carbonate ester

Also known as (2,5-dioxopyrrolidin-1-yl) 1-[5-methoxy-4-[4-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutoxy]-2-nitrophenyl]ethyl carbonate

PC Methyltetrazine-PEG4-NHS carbonate ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2055736-28-0MW785.75FormulaC35H43N7O14
CAS number
2055736-28-0
Molecular weight
785.75
Formula
C35H43N7O14
InChIKey
FYXJZLYXHCHOII-UHFFFAOYSA-N
Catalogue number
GC66854
Brand
GLPBIO
Computed properties PubChem CID 102514786 · XLogP 0.9 · TPSA 255 Ų · H-bond donors 1
XLogP
0.9
TPSA
255 Ų
H-bond donors
1
H-bond acceptors
18
Rotatable bonds
25
Heavy atoms
56

SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCCOC3=C(C=C(C(=C3)[N+](=O)[O-])C(C)OC(=O)ON4C(=O)CCC4=O)OC

Computed descriptors from PubChem (CID 102514786), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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