(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-{[(Phenylsulfanyl)Acetyl]Amino}-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 26552-51-2]

Identification

• Name: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-{[(Phenylsulfanyl)Acetyl]Amino}-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₈N₂O₄S₂
• Molecular Weight: 366.46
• CAS Registry Number: 26552-51-2
• SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)O)C
• InChI: 1S/C16H18N2O4S2/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
• InChIKey: VEAPUAUNTSIGKZ-MBNYWOFBSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 677.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 363.4±31.5°C (Cal.)
• Refractive index: 1.682 (Cal.)