Furbenicillin
[CAS# 54661-82-4]

Identification

• Name: Furbenicillin
• Synonyms: (2S,5R,6R)-6-[[2-(Furan-2-Carbonylcarbamoylamino)-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-[[[(2-Furyl-Oxomethyl)Amino]-Oxomethyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(Furan-2-Carbonylcarbamoylamino)-2-Phenyl-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₂H₂₂N₄O₇S
• Molecular Weight: 486.50
• CAS Registry Number: 54661-82-4
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)NC(=O)C3=CC=CO3)C4=CC=CC=C4)C(=O)O)(C)C
• InChI: 1S/C22H22N4O7S/c1-22(2)15(20(30)31)26-18(29)14(19(26)34-22)23-17(28)13(11-7-4-3-5-8-11)24-21(32)25-16(27)12-9-6-10-33-12/h3-10,13-15,19H,1-2H3,(H,23,28)(H,30,31)(H2,24,25,27,32)/t13?,14-,15+,19-/m1/s1
• InChIKey: AWBJVSUGLZFBOG-BWMCOSIFSA-N

Properties

• Density: 1.53g/cm³ (Cal.)