N-Benzyloxycarbonylphenylalanylalanine
[CAS 16088-00-9]

Identification

• Name: N-Benzyloxycarbonylphenylalanylalanine
• Synonyms: (2S)-2-[[(2S)-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-Phenylpropyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-2-(Benzyloxycarbonylamino)-3-Phenyl-Propanoyl]Amino]Propionic Acid; L-Alanine, N-(N-((Phenylmethoxy)Carbonyl)-D-Phenylalanyl)-
• Molecular Formula: C₂₀H₂₂N₂O₅
• Molecular Weight: 370.40
• CAS Registry Number: 16088-00-9
• SMILES: [C@H](C(N[C@H](C(=O)O)C)=O)(NC(=O)OCC1=CC=CC=C1)CC2=CC=CC=C2
• InChI: 1S/C20H22N2O5/c1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t14-,17-/m0/s1
• InChIKey: LEJTXQOVOPDGHS-YOEHRIQHSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 666.113°C at 760 mmHg (Cal.)
• Flash point: 356.652°C (Cal.)

References

• (1): Toshifumi Miyazawa, Eiichi Ensatsu, Makoto Hiramatsu, Ryoji Yanagihara and Takashi Yamada. a-Chymotrypsin-catalysed segment condensations via the kinetically controlled approach using carbamoylmethyl esters as acyl donors in organic media, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 396.