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Chemical structure of E3 ligase Ligand-Linker Conjugates 6

GC32839

E3 ligase Ligand-Linker Conjugates 6

Also known as (2S,4R)-1-[(2S)-2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

E3 ligase Ligand-Linker Conjugates 6 (VH032-PEG2-NH2 hydrochloride) is a synthesized E3 ligase ligand-linker conjugate that incorporates the (S,R,S)-AHPC based VHL ligand and 2-unit PEG linker used in the synthesis of PROTACs

ChemicalCAS2097973-72-1MW612.18FormulaC28H42ClN5O6S
CAS number
2097973-72-1
Molecular weight
612.18
Formula
C28H42ClN5O6S
Solubility
DMSO : 100 mg/mL (163·35 mM)
InChIKey
SYAOHFUUVWFWJH-ZBXLSASTSA-N
Catalogue number
GC32839
Brand
GLPBIO
Computed properties PubChem CID 131704496 · TPSA 184 Ų · H-bond donors 5 · H-bond acceptors 9
TPSA
184 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
14
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)COCCOCCN)O.Cl

Computed descriptors from PubChem (CID 131704496), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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