Diphenylmethyl [2S-(2alpha,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenoxyacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
[CAS# 10209-09-3]

Identification

• Name: Diphenylmethyl [2S-(2alpha,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenoxyacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate 4-Oxide
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-4,7-Dioxo-6-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Di(Phenyl)Methyl Ester; (2S,5R,6R)-4,7-Diketo-3,3-Dimethyl-6-[[2-(Phenoxy)Acetyl]Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Di(Phenyl)Methyl Ester; Di(Phenyl)Methyl (2S,5R,6R)-3,3-Dimethyl-4,7-Dioxo-6-[2-(Phenoxy)Ethanoylamino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₉H₂₈N₂O₆S
• Molecular Weight: 532.61
• CAS Registry Number: 10209-09-3
• EINECS: 233-509-3
• SMILES: [C@@H]14N([C@H](C([S]1=O)(C)C)C(OC(C2=CC=CC=C2)C3=CC=CC=C3)=O)C([C@H]4NC(=O)COC5=CC=CC=C5)=O
• InChI: 1S/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)/t23-,25+,27-,38?/m1/s1
• InChIKey: LCRVLXSXMGVJHV-KWNWCNBBSA-N

Properties

• Density: 1.402g/cm³ (Cal.)
• Boiling point: 803.523°C at 760 mmHg (Cal.)
• Flash point: 439.755°C (Cal.)