(2S-(2-alpha,5- alpha,6-beta))-3,3-Dimethyl-7-Oxo-6-(((Tetrahydro-5-Methyl-2-Furanyl)Carbonyl)Amino)-4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid
[CAS# 47219-50-1]

Identification

• Name: (2S-(2-alpha,5- alpha,6-beta))-3,3-Dimethyl-7-Oxo-6-(((Tetrahydro-5-Methyl-2-Furanyl)Carbonyl)Amino)-4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-6-[(5-Methyltetrahydrofuran-2-Carbonyl)Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-6-[[(5-Methyl-2-Tetrahydrofuranyl)-Oxomethyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(5-Methyltetrahydrofuran-2-Carbonyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₄H₂₀N₂O₅S
• Molecular Weight: 328.38
• CAS Registry Number: 47219-50-1
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3OC(CC3)C)C(=O)O)(C)C
• InChI: 1S/C14H20N2O5S/c1-6-4-5-7(21-6)10(17)15-8-11(18)16-9(13(19)20)14(2,3)22-12(8)16/h6-9,12H,4-5H2,1-3H3,(H,15,17)(H,19,20)/t6?,7?,8-,9+,12-/m1/s1
• InChIKey: BDIYHJQDINQRFV-WYNVUNRPSA-N

Properties

• Density: 1.431g/cm³ (Cal.)
• Boiling point: 643.286°C at 760 mmHg (Cal.)
• Flash point: 342.847°C (Cal.)