Diphenylmethyl (6R-trans)-3-Methyl-8-Oxo-7-(Phenylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
[CAS# 29126-12-3]

Identification

• Name: Diphenylmethyl (6R-trans)-3-Methyl-8-Oxo-7-(Phenylacetamido)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Synonyms: (6R,7R)-3-Methyl-8-Oxo-7-[(1-Oxo-2-Phenylethyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Di(Phenyl)Methyl Ester; (6R,7R)-8-Keto-3-Methyl-7-[(2-Phenylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid Di(Phenyl)Methyl Ester; Di(Phenyl)Methyl (6R,7R)-3-Methyl-8-Oxo-7-(2-Phenylethanoylamino)-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
• Molecular Formula: C₂₉H₂₆N₂O₄S
• Molecular Weight: 498.60
• CAS Registry Number: 29126-12-3
• EINECS: 249-456-4
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(OC(C4=CC=CC=C4)C5=CC=CC=C5)=O)C
• InChI: 1S/C29H26N2O4S/c1-19-18-36-28-24(30-23(32)17-20-11-5-2-6-12-20)27(33)31(28)25(19)29(34)35-26(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)/t24-,28-/m1/s1
• InChIKey: KRSQRWDTNJRUNK-UFHPHHKVSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 759.417°C at 760 mmHg (Cal.)
• Flash point: 413.081°C (Cal.)