Diphenylmethyl (6R,7R)-7-Amino-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 53090-86-1]

Identification

• Name: Diphenylmethyl (6R,7R)-7-Amino-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, diphenylmethyl ester, (6R-trans)-
• Molecular Formula: C₂₃H₂₂N₆O₃S₂
• Molecular Weight: 494.59
• CAS Registry Number: 53090-86-1
• SMILES: Cn1c(nnn1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(c4ccccc4)c5ccccc5
• InChI: 1S/C23H22N6O3S2/c1-28-23(25-26-27-28)34-13-16-12-33-21-17(24)20(30)29(21)18(16)22(31)32-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17,19,21H,12-13,24H2,1H3/t17-,21-/m1/s1
• InChIKey: YDROWRWAIBYYQX-DYESRHJHSA-N

Properties

• Density: 1.538g/cm³ (Cal.)
• Boiling point: 736.943°C at 760 mmHg (Cal.)
• Flash point: 399.489°C (Cal.)