(2S,5R,6R)-6-[(2-Furan-3-Ylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 35987-91-8]

Identification

• Name: (2S,5R,6R)-6-[(2-Furan-3-Ylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-6-[[2-(3-Furyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(3-Furyl)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[2-(3-Furyl)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₄H₁₆N₂O₅S
• Molecular Weight: 324.35
• CAS Registry Number: 35987-91-8
• SMILES: [C@H]1(N2[C@H](SC1(C)C)[C@@H](C2=O)NC(=O)CC3=COC=C3)C(=O)O
• InChI: 1S/C14H16N2O5S/c1-14(2)10(13(19)20)16-11(18)9(12(16)22-14)15-8(17)5-7-3-4-21-6-7/h3-4,6,9-10,12H,5H2,1-2H3,(H,15,17)(H,19,20)/t9-,10+,12-/m1/s1
• InChIKey: FKQHSOFIIMPCIV-JFGNBEQYSA-N

Properties

• Density: 1.491g/cm³ (Cal.)
• Boiling point: 653.209°C at 760 mmHg (Cal.)
• Flash point: 348.849°C (Cal.)