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Chemical structure of (S,R,S)-AHPC-propargyl

GC38724

(S,R,S)-AHPC-propargyl

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

(S,R,S)-AHPC-propargyl (VH032-propargyl) is a VHL ligand which is used in “click reaction” for PROTACs

ChemicalCAS2098799-78-9MW526.65FormulaC27H34N4O5S
CAS number
2098799-78-9
Molecular weight
526.65
Formula
C27H34N4O5S
Solubility
DMSO： 100 mg/mL (189·88 mM)
InChIKey
UGJHKPQUMUDIQJ-ZFGGDYGUSA-N
Catalogue number
GC38724
Brand
GLPBIO
Computed properties PubChem CID 138991775 · XLogP 2.3 · TPSA 149 Ų · H-bond donors 3
XLogP
2.3
TPSA
149 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
37

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)COCC#C)O

Computed descriptors from PubChem (CID 138991775), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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