Methyl (2S)-({N-[(3,5-Difluorophenyl)Acetyl]-L-Alanyl}Amino)(Phenyl)Acetate
[CAS# 208255-51-0]

Identification

• Name: Methyl (2S)-({N-[(3,5-Difluorophenyl)Acetyl]-L-Alanyl}Amino)(Phenyl)Acetate
• Synonyms: ¦Ã-Secretase Inhibitor XVI; 3,5-DIFLUOROPHENYLACETYL-ALA-PHG-OME
• Molecular Formula: C₂₀H₂₀F₂N₂O₄
• Molecular Weight: 390.38
• CAS Registry Number: 208255-51-0
• SMILES: Fc1cc(cc(F)c1)CC(=O)N[C@H](C(=O)N[C@@H](c2ccccc2)C(=O)OC)C
• InChI: 1S/C20H20F2N2O4/c1-12(23-17(25)10-13-8-15(21)11-16(22)9-13)19(26)24-18(20(27)28-2)14-6-4-3-5-7-14/h3-9,11-12,18H,10H2,1-2H3,(H,23,25)(H,24,26)/t12-,18-/m0/s1
• InChIKey: XAPDRNSTUYCSQC-SGTLLEGYSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 601.017°C at 760 mmHg (Cal.)
• Flash point: 317.284°C (Cal.)
• Refractive index: 1.545 (Cal.)