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Chemical structure of E3 ligase Ligand-Linker Conjugates 13

GC32888

E3 ligase Ligand-Linker Conjugates 13

Also known as (2S,4R)-1-[(2S)-2-[[2-[2-(2-azidoethoxy)ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

E3 ligase Ligand-Linker Conjugates 13 is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based VHL ligand and 2-unit PEG linker used in PROTAC technology

ChemicalCAS2010159-45-0MW601.72FormulaC28H39N7O6S
CAS number
2010159-45-0
Molecular weight
601.72
Formula
C28H39N7O6S
Solubility
DMSO : 50 mg/mL (83·10 mM)
InChIKey
SDSUWMZOAFJCPF-OTNCWRBYSA-N
Catalogue number
GC32888
Brand
GLPBIO
Computed properties PubChem CID 122551829 · XLogP 3 · TPSA 173 Ų · H-bond donors 3
XLogP
3
TPSA
173 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
15
Heavy atoms
42

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN=[N+]=[N-])O

Computed descriptors from PubChem (CID 122551829), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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