(5R,6R)-3-(2-Acetamidoethylsulfanyl)-7-Oxo-6-Propan-2-Yl-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
[CAS# 72615-19-1]

Identification

• Name: (5R,6R)-3-(2-Acetamidoethylsulfanyl)-7-Oxo-6-Propan-2-Yl-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Synonyms: (5R,6R)-3-(2-Acetamidoethylsulfanyl)-6-Isopropyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-(2-Acetamidoethylthio)-6-Isopropyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-(2-Acetamidoethylthio)-6-Isopropyl-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₄H₂₀N₂O₄S
• Molecular Weight: 312.38
• CAS Registry Number: 72615-19-1
• SMILES: [C@H]12N(C(=O)[C@@H]1C(C)C)C(=C(SCCNC(=O)C)C2)C(=O)O
• InChI: 1S/C14H20N2O4S/c1-7(2)11-9-6-10(21-5-4-15-8(3)17)12(14(19)20)16(9)13(11)18/h7,9,11H,4-6H2,1-3H3,(H,15,17)(H,19,20)/t9-,11-/m1/s1
• InChIKey: SUMQHCXEWHRKGG-MWLCHTKSSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 569.376°C at 760 mmHg (Cal.)
• Flash point: 298.148°C (Cal.)