Methyl N-[(Benzyloxy)Carbonyl]-L-beta-Aspartyl-L-Phenylalaninate
[CAS# 35739-01-6]

Identification

• Name: Methyl N-[(Benzyloxy)Carbonyl]-L-beta-Aspartyl-L-Phenylalaninate
• Synonyms: 1-methyl 3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-β-aspartyl]-L-alaninate
• Molecular Formula: C₂₂H₂₄N₂O₇
• Molecular Weight: 428.44
• CAS Registry Number: 35739-01-6
• EINECS: 252-707-0
• SMILES: O=C(OC)[C@@H](NC(=O)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1)Cc2ccccc2
• InChI: 1S/C22H24N2O7/c1-30-21(28)18(12-15-8-4-2-5-9-15)23-19(25)13-17(20(26)27)24-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,23,25)(H,24,29)(H,26,27)/t17-,18-/m0/s1
• InChIKey: CLVVEIINFJLFNK-ROUUACIJSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 690.283°C at 760 mmHg (Cal.)
• Flash point: 371.27°C (Cal.)