Diphenylmethyl [5S-(5alpha,6beta,7alpha)]-3-Methoxy-8-Oxo-7-(Phenoxyacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate 5-Oxide
[CAS# 57562-02-4]

Identification

• Name: Diphenylmethyl [5S-(5alpha,6beta,7alpha)]-3-Methoxy-8-Oxo-7-(Phenoxyacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate 5-Oxide
• Synonyms: (6R)-3-Methoxy-5,8-Dioxo-7-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-5$L^{4}-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Di(Phenyl)Methyl Ester; (6R)-5,8-Diketo-3-Methoxy-7-[[2-(Phenoxy)Acetyl]Amino]-5$L^{4}-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Di(Phenyl)Methyl Ester; Di(Phenyl)Methyl (6R)-3-Methoxy-5,8-Dioxo-7-[2-(Phenoxy)Ethanoylamino]-5$L^{4}-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₉H₂₆N₂O₇S
• Molecular Weight: 546.59
• CAS Registry Number: 57562-02-4 (57562-03-5)
• EINECS: 260-809-1
• SMILES: [C@H]12[S](=O)CC(=C(N1C(=O)C2NC(=O)COC3=CC=CC=C3)C(OC(C4=CC=CC=C4)C5=CC=CC=C5)=O)OC
• InChI: 1S/C29H26N2O7S/c1-36-22-18-39(35)28-24(30-23(32)17-37-21-15-9-4-10-16-21)27(33)31(28)25(22)29(34)38-26(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)/t24?,28-,39?/m1/s1
• InChIKey: QQAYRTHPIWQKCZ-HNZQATFASA-N

Properties

• Density: 1.446g/cm³ (Cal.)
• Boiling point: 882.136°C at 760 mmHg (Cal.)
• Flash point: 487.298°C (Cal.)