Sulbenicillin
[CAS# 34779-28-7]

Identification

• Name: Sulbenicillin
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenyl-2-Sulfo-Acetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenyl-2-Sulfoethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenyl-2-Sulfo-Acetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₈N₂O₇S₂
• Molecular Weight: 414.45
• CAS Registry Number: 34779-28-7
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C([S](=O)(=O)O)C3=CC=CC=C3)C(=O)O)(C)C
• InChI: 1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10?,11+,14-/m1/s1
• InChIKey: JETQIUPBHQNHNZ-OAYJICASSA-N

Properties

• Density: 1.643g/cm³ (Cal.)