(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[3-Oxo-2-Phenyl-3-(Phenylmethoxy)Propanoyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 3973-06-6]

Identification

• Name: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[3-Oxo-2-Phenyl-3-(Phenylmethoxy)Propanoyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-6-[[1,3-Dioxo-2-Phenyl-3-(Phenylmethoxy)Propyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(Benzyloxy)-3-Keto-2-Phenyl-Propanoyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 6-(((Benzyloxy)-1,3-Dioxo-2-Phenylpropyl)Amino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₄H₂₄N₂O₆S
• Molecular Weight: 468.52
• CAS Registry Number: 3973-06-6
• EINECS: 223-600-6
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(C3=CC=CC=C3)C(OCC4=CC=CC=C4)=O)C(=O)O)(C)C
• InChI: 1S/C24H24N2O6S/c1-24(2)18(22(29)30)26-20(28)17(21(26)33-24)25-19(27)16(15-11-7-4-8-12-15)23(31)32-13-14-9-5-3-6-10-14/h3-12,16-18,21H,13H2,1-2H3,(H,25,27)(H,29,30)/t16?,17-,18+,21-/m1/s1
• InChIKey: XISLDFJJHQQSDZ-GKTUAVMOSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 757.65°C at 760 mmHg (Cal.)
• Flash point: 412.012°C (Cal.)