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Chemical structure of (S,R,S)-AHPC-PEG5-COOH

GC60009

(S,R,S)-AHPC-PEG5-COOH

Also known as 3-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

(S,R,S)-AHPC-PEG5-COOH (VH032-PEG5-COOH) is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based VHL ligand and 5-unit PEG linker used in PROTAC technology

ChemicalCAS2172820-14-1MW750.9FormulaC36H54N4O11S
CAS number
2172820-14-1
Molecular weight
750.9
Formula
C36H54N4O11S
Solubility
DMSO： ≥ 100 mg/mL (133·17 mM)
InChIKey
YDOJYEPMGKGKQV-ZLWRCJDJSA-N
Catalogue number
GC60009
Brand
GLPBIO
Computed properties PubChem CID 134184001 · XLogP 1 · TPSA 223 Ų · H-bond donors 4
XLogP
1
TPSA
223 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
25
Heavy atoms
52

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)CCOCCOCCOCCOCCOCCC(=O)O)O

Computed descriptors from PubChem (CID 134184001), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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