Furbucillin

(2S,5R,6R)-6-[[2-(furan-2-carbonyloxy)-4-methylpentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Also Known As: Furbucillin|Furbucillin [INN]|KST-1A6742|(2s,5r,6r)-6-({2-[(furan-2-ylcarbonyl)oxy]-4-methylpentanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-((R)-2-((Furan-2-carbonyl)oxy)-4-methylpentanamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-[[2-(furan-2-carbonyloxy)-4-methylpentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-[(2-furanylcarbonyl)oxy]-4-methyl-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-

Molecular Formula	C19H24N2O7S
Molecular Weight	424.13043 g/mol
LogP	2.7
Topological Polar Surface Area	151.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	424.13043
Monoisotopic Mass	424.13043
Heavy Atoms	29
Complexity	711.0

Chemical Identifiers

CAS Number	6294-84-4
SMILES	CC(C)CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC(=O)C3=CC=CO3
InChIKey	FRUAVHAXMXYUGM-XQERAMJGSA-N