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Chemical structure of VH032-PEG3-acetylene

GC38870

VH032-PEG3-acetylene

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

VH032-PEG3-acetylene is a synthesized E3 ligase ligand-linker conjugate that incorporates the VH032 based VHL ligand and a linker used in PROTAC technology

ChemicalCAS2098799-80-3MW614.75FormulaC31H42N4O7S
CAS number
2098799-80-3
Molecular weight
614.75
Formula
C31H42N4O7S
Solubility
DMSO： 50 mg/mL (81·33 mM)
InChIKey
HHXQNDSXTCIWSG-CERRFVOPSA-N
Catalogue number
GC38870
Brand
GLPBIO
Computed properties PubChem CID 132045744 · XLogP 2 · TPSA 168 Ų · H-bond donors 3
XLogP
2
TPSA
168 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
43

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)COCCOCCOCC#C)O

Computed descriptors from PubChem (CID 132045744), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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