(2S,5R)-2-[(1S)-1-[3-(Dibenzylamino)Phenyl]Propyl]-5-Hydroxy-1-[(4R)-2-Oxo-4-Phenyl-Oxazolidin-3-Yl]-5-Phenethyl-Oct-6-Yne-1,3-Dione
[CAS# 188559-22-0]

Identification

• Name: (2S,5R)-2-[(1S)-1-[3-(Dibenzylamino)Phenyl]Propyl]-5-Hydroxy-1-[(4R)-2-Oxo-4-Phenyl-Oxazolidin-3-Yl]-5-Phenethyl-Oct-6-Yne-1,3-Dione
• Synonyms: [4R-[3(2(S*),5(R*),4R]]-3-[2-[1-[3-[Bis(phenylmethyl)amino]phenyl]propyl]-5-hydroxy-1,3-dioxo-5-(2-phenylethyl)-6-octynyl]-4-phenyl-2-oxazolidinone
• Molecular Formula: C₄₈H₄₈N₂O₅
• Molecular Weight: 732.91
• CAS Registry Number: 188559-22-0
• SMILES: O=C(C[C@](C#CC)(O)CCc1ccccc1)[C@@H](C(=O)N3C(=O)OC[C@H]3c2ccccc2)[C@@H](c6cccc(N(Cc4ccccc4)Cc5ccccc5)c6)CC
• InChI: 1S/C48H48N2O5/c1-3-29-48(54,30-28-36-18-9-5-10-19-36)32-44(51)45(46(52)50-43(35-55-47(50)53)39-24-15-8-16-25-39)42(4-2)40-26-17-27-41(31-40)49(33-37-20-11-6-12-21-37)34-38-22-13-7-14-23-38/h5-27,31,42-43,45,54H,4,28,30,32-35H2,1-2H3/t42-,43+,45+,48-/m1/s1
• InChIKey: NWQXDMCBNUXVPH-OOYLSIGHSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 904.286°C at 760 mmHg (Cal.)
• Flash point: 500.694°C (Cal.)
• Refractive index: 1.632 (Cal.)