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Chemical structure of (S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH

GC62684

(S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH

Also known as tert-butyl N-[3-[1-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]oxycyclobutyl]carbamate

(S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH (VH032-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH) is a E3 ligase ligand-linker conjugate that contains on one end a VHL ligand· (S,R,S)-AHPC-Boc-trans-3-aminocyclobutanol-Pip-CH2COOH is used in PROTAC technology

ChemicalCAS2086301-47-3MW754.98FormulaC39H58N6O7S
CAS number
2086301-47-3
Molecular weight
754.98
Formula
C39H58N6O7S
Solubility
DMSO ： 220 mg/mL (291·40 mM; Need ultrasonic)
InChIKey
MBBHQLTUHKETEL-WQULMBDRSA-N
Catalogue number
GC62684
Brand
GLPBIO
Computed properties PubChem CID 126619795 · XLogP 4.5 · TPSA 191 Ų · H-bond donors 4
XLogP
4.5
TPSA
191 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
14
Heavy atoms
53

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCC(CC4)OC5CC(C5)NC(=O)OC(C)(C)C)O

Computed descriptors from PubChem (CID 126619795), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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