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Chemical structure of VH 032 phenol-alkylC4-amine

GC50605

VH 032 phenol-alkylC4-amine

Also known as (2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[[2-(4-aminobutoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

(S,R,S)-AHPC-phenol-C4-NH2 (VH032-phenol-C4-NH2) dihydrochloride is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPCbased VHL ligand and a linker used inPROTACtechnology

ChemicalCAS2376990-26-8MW632.64FormulaC28H41N5O5S·2HCl
CAS number
2376990-26-8
Molecular weight
632.64
Formula
C28H41N5O5S·2HCl
Solubility
Soluble in DMSO
InChIKey
LDWASNPVOMODPJ-OTCWRJAQSA-N
Catalogue number
GC50605
Brand
GLPBIO
Computed properties PubChem CID 145874877 · TPSA 175 Ų · H-bond donors 6 · H-bond acceptors 8
TPSA
175 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
41

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)C)O)OCCCCN.Cl.Cl

Computed descriptors from PubChem (CID 145874877), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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