Funobactam
[(2S,5R)-2-[5-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate
Molecular Identity
Funobactam
[(2S,5R)-2-[5-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate
PubChem CID: 155337781
2D Structure
Properties
C13H17N7O6S
Molecular Formula
399.39
Molecular Weight
g/mol
399.0961
Exact Mass
Da
-2.9
XLogP
Drug-like (Lipinski: < 5)
185
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
795
Complexity
SMILES
Canonical SMILES
SMILES: C1CC12CC(N3CC2N(C3=O)OS(=O)(=O)O)C4=NN=C(O4)C5CN=C(N5)NIsomeric SMILES
SMILES: C1CC12C[C@H](N3C[C@@H]2N(C3=O)OS(=O)(=O)O)C4=NN=C(O4)[C@@H]5CN=C(N5)NSynonyms(12)
Funobactam[(2S,5R)-2-[5-[(4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-1,3,4-oxadiazol-2-yl]-7-oxospiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-6-yl] hydrogen sulfate((2S,5R)-2-(5-((4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl)-1,3,4-oxadiazol-2-yl)-7-oxospiro(1,6-diazabicyclo(3.2.1)octane-4,1'-cyclopropane)-6-yl) hydrogen sulfateRefChem:1417226WG7OYL77A2365454-12-0orb1688131CHEMBL5095101SCHEMBL22711266GTPL13114XNW4107DA-63634
Data from PubChem (NCBI)
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