Semagacestat
(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
Molecular Identity
Semagacestat
(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
PubChem CID: 9843750
(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 is a peptide.
2D Structure
Properties
C19H27N3O4
Molecular Formula
361.40
Molecular Weight
g/mol
361.2002
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
98.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
537
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)NC(C)C(=O)NC1C2=CC=CC=C2CCN(C1=O)C)OIsomeric SMILES
SMILES: C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2CCN(C1=O)C)NC(=O)[C@H](C(C)C)OSynonyms(20)
Semagacestat425386-60-3LY-450139LY450139LY 4501393YN0602W4WDTXSID10235740(2S)-2-Hydroxy-3-methyl-N-((2S)-1-(((1S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepin-1-yl)amino)-1-oxopropan-2-yl)butanamidesemagacestatum(2S)-2-hydroxy-3-methyl-N-((2S)-1-(((1S)-3-methyl-2-oxo-4,5-dihydro-1H-3-benzazepin-1-yl)amino)-1-oxopropan-2-yl)butanamide(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(1S)-3-methyl-2-oxo-4,5-dihydro-1H-3-benzazepin-1-yl]amino]-1-oxopropan-2-yl]butanamide(2S)-2-HYDROXY-3-METHYL-N-[(2S)-1-{[(1S)-3-METHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-1-YL]AMINO}-1-OXOPROPAN-2-YL]BUTANAMIDERefChem:931602DTXCID40158231Semagacestat (LY450139)
Data from PubChem (NCBI)
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