Zelquistinel
tert-butyl (4S)-2-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
Molecular Identity
Zelquistinel
tert-butyl (4S)-2-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
PubChem CID: 132155398
2D Structure
Properties
C15H25N3O5
Molecular Formula
327.38
Molecular Weight
g/mol
327.1794
Exact Mass
Da
-0.5
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
530
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C(=O)N)N1CC2(C1=O)CCCN2C(=O)OC(C)(C)C)OIsomeric SMILES
SMILES: C[C@H]([C@@H](C(=O)N)N1C[C@]2(C1=O)CCCN2C(=O)OC(C)(C)C)OSynonyms(20)
Zelquistinel2151842-64-5Zelquistinel [INN]387WYR6N95UNII-387WYR6N95RefChem:195913GATE251AGN-241751GATE-251AGN241751tert-butyl (4S)-2-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylateZelquistinel [WHO-DD]orb1689110CHEMBL5314944SCHEMBL19628505
Data from PubChem (NCBI)
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