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Chemical structure of (1S,2R)-Alicapistat

GC65547

(1S,2R)-Alicapistat

Also known as (2R)-1-benzyl-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide

(1S,2R)-Alicapistat ((1S,2R)-ABT-957) is an orally active selective inhibitor of human calpains 1 and 2 for the potential application of Alzheimer's disease (AD)

ChemicalCAS2221010-57-5MW433.5FormulaC25H27N3O4
CAS number
2221010-57-5
Molecular weight
433.5
Formula
C25H27N3O4
InChIKey
MMLDHJRGTZHNHV-LEWJYISDSA-N
Catalogue number
GC65547
Brand
GLPBIO
Computed properties PubChem CID 131634149 · XLogP 2.4 · TPSA 95.6 Ų · H-bond donors 2
XLogP
2.4
TPSA
95.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
32

SMILES C1CC(=O)N([C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C(=O)NC3CC3)CC4=CC=CC=C4

Computed descriptors from PubChem (CID 131634149), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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