(5R,6R)-3-(2-Acetamidoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 67007-79-8]

Identification

• Name: (5R,6R)-3-(2-Acetamidoethylsulfanyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: (5R,6R)-3-(2-Acetamidoethylthio)-6-Ethyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6R)-3-(2-Acetamidoethylthio)-6-Ethyl-7-Keto-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; Ps 5
• Molecular Formula: C₁₃H₁₈N₂O₄S
• Molecular Weight: 298.36
• CAS Registry Number: 67007-79-8
• SMILES: [C@@H]12N(C(=C(SCCNC(=O)C)C1)C(=O)O)C(=O)[C@@H]2CC
• InChI: 1S/C13H18N2O4S/c1-3-8-9-6-10(20-5-4-14-7(2)16)11(13(18)19)15(9)12(8)17/h8-9H,3-6H2,1-2H3,(H,14,16)(H,18,19)/t8-,9-/m1/s1
• InChIKey: MHSNTZYKSLYGOM-RKDXNWHRSA-N

Properties

• Density: 1.377g/cm³ (Cal.)
• Boiling point: 573.583°C at 760 mmHg (Cal.)
• Flash point: 300.693°C (Cal.)