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Chemical structure of E3 ligase Ligand-Linker Conjugates 3

GC33110

E3 ligase Ligand-Linker Conjugates 3

Also known as (2S,4R)-1-[(2S)-2-[[2-(2-azidoethoxy)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 3 is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based VHL ligand and 1-unit PEG linker used in PROTAC technology

ChemicalCAS2101200-09-1MW557.67FormulaC26H35N7O5S
CAS number
2101200-09-1
Molecular weight
557.67
Formula
C26H35N7O5S
Solubility
DMSO: ≥ 100 mg/mL (179·32 mM)
InChIKey
YVCURZJBLHZABY-ZRCGQRJVSA-N
Catalogue number
GC33110
Brand
GLPBIO
Computed properties PubChem CID 122551828 · XLogP 3.1 · TPSA 163 Ų · H-bond donors 3
XLogP
3.1
TPSA
163 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
39

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)COCCN=[N+]=[N-])O

Computed descriptors from PubChem (CID 122551828), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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