Molecular Identity
59547-52-3
4-[5-(dithiolan-3-yl)pentanoylamino]butanoic acid
PubChem CID: 43043
2D Structure
Properties
C12H21NO3S2
Molecular Formula
291.40
Molecular Weight
g/mol
291.0963
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
117
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
274
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
59547-52-34-(DL-alpha-Lipamido)butyric acid4-((5-(1,2-Dithiolan-3-yl)-1-oxopentyl)amino)butanoic acidBUTANOIC ACID, 4-((5-(1,2-DITHIOLAN-3-YL)-1-OXOPENTYL)AMINO)-4-[[5-(1,2-Dithiolan-3-yl)-1-oxopentyl]amino]butanoic acidRefChem:330867LABA4-[5-(dithiolan-3-yl)pentanoylamino]butanoic acidSCHEMBL7841655DTXSID40974953PZSMUPGANZGPBF-UHFFFAOYSA-NDB-2289894-[5-(1,2-Dithiolan-3-yl)pentanoylamino]butanoic acid4-{[5-(1,2-Dithiolan-3-yl)-1-hydroxypentylidene]amino}butanoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 59547-52-3
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