Methyl N²-[(Benzyloxy)Carbonyl]Asparaginylphenylalaninate
[CAS# 4976-86-7]

Identification

• Name: Methyl N²-[(Benzyloxy)Carbonyl]Asparaginylphenylalaninate
• Synonyms: methyl 2-(2-{[(benzyloxy)carbonyl]amino}butanediamido)-3-phenylpropanoate; Z-ASN-PHE-OME
• Molecular Formula: C₂₂H₂₅N₃O₆
• Molecular Weight: 427.45
• CAS Registry Number: 4976-86-7
• SMILES: O=C(OC)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(=O)N)Cc2ccccc2
• InChI: 1S/C22H25N3O6/c1-30-21(28)18(12-15-8-4-2-5-9-15)24-20(27)17(13-19(23)26)25-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H2,23,26)(H,24,27)(H,25,29)
• InChIKey: XHINWMJGDYTIFM-UHFFFAOYSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 718.792°C at 760 mmHg (Cal.)
• Flash point: 388.512°C (Cal.)