semagacestat dihydrate
(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide;dihydrate
Molecular Identity
semagacestat dihydrate
(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide;dihydrate
PubChem CID: 9843749
2D Structure
Properties
C19H31N3O6
Molecular Formula
397.50
Molecular Weight
g/mol
397.2213
Exact Mass
Da
101
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
6
H-Bond Acceptors
537
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(10)
semagacestat dihydrately450139 dihydrateSCHEMBL1812166SCHEMBL30579757LY-450139 DIHYDRATEMVWVSAKBHYNDEF-ANYPDPQESA-N66YH9K8271Q27264039(2S)-2-hydroxy-3-methyl-N-[(1S)-1-methyl-2-oxo-2-[[(1S)-2,3,4,5-tetrahydro-3-methyl-2-oxo-1H-3-benzazepin-1-yl]amino]ethyl]-butanamide dihydrateBUTANAMIDE, 2-HYDROXY-3-METHYL-N-((1S)-1-METHYL-2-OXO-2-(((1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL)AMINO)ETHYL)-, DIHYDRATE, (2S)-
Data from PubChem (NCBI)
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