2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-Ethenyl-8-Oxo-7-[(2-Phenylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 146383-05-3]

Identification

• Name: 2,2-Dimethylpropanoyloxymethyl (6R,7R)-3-Ethenyl-8-Oxo-7-[(2-Phenylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: 2,2-Dimethylpropanoyloxymethyl (6R,7R)-8-Oxo-7-[(2-Phenylacetyl)Amino]-3-Vinyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate; (6R,7R)-8-Oxo-7-[(1-Oxo-2-Phenylethyl)Amino]-3-Vinyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid (2,2-Dimethyl-1-Oxopropoxy)Methyl Ester; (6R,7R)-8-Keto-7-[(2-Phenylacetyl)Amino]-3-Vinyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Pivaloyloxymethyl Ester
• Molecular Formula: C₂₃H₂₆N₂O₆S
• Molecular Weight: 458.53
• CAS Registry Number: 146383-05-3
• SMILES: [C@@H]12N(C(=C(CS1)C=C)C(=O)OCOC(C(C)(C)C)=O)C([C@H]2NC(=O)CC3=CC=CC=C3)=O
• InChI: 1S/C23H26N2O6S/c1-5-15-12-32-20-17(24-16(26)11-14-9-7-6-8-10-14)19(27)25(20)18(15)21(28)30-13-31-22(29)23(2,3)4/h5-10,17,20H,1,11-13H2,2-4H3,(H,24,26)/t17-,20-/m1/s1
• InChIKey: IPWNJKJYNDLPHY-YLJYHZDGSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 710.719°C at 760 mmHg (Cal.)
• Flash point: 383.629°C (Cal.)