Fumoxicillin

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

Also Known As: Fumoxicillin|KST-1A8416|(2s,5r,6r)-6-{[(2s)-2-{[(e)-furan-2-ylmethylidene]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,5R,6R)-6-[[(2S)-2-(furan-2-ylmethylideneamino)-2-(4-hydroxyphenyl)acetyl]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-carboxylicacid,6-[[(2R)-2-[(2-furanylmethylene)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-

Molecular Formula	C21H21N3O6S
Molecular Weight	443.1151 g/mol
LogP	1.78
Topological Polar Surface Area	132.44 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	443.1151
Heavy Atoms	31
Complexity	1033.9

Chemical Identifiers

CAS Number	827-37-2
SMILES	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=C(C=C3)O)N=CC4=CC=CO4)C(=O)O)C