N-[(Benzyloxy)Carbonyl]-L-Phenylalanyl-L-Alanine
[CAS 21881-18-5]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: N-[(Benzyloxy)Carbonyl]-L-Phenylalanyl-L-Alanine
• Synonyms: (2S)-2-{(2S)-3-phenyl-2-[(phenylmethoxy)carbonylamino]propanoylamino}propanoicacid; L-Alanine, N-(N-((phenylmethoxy)carbonyl)-D-phenylalanyl)-; MFCD00037237
• Molecular Formula: C₂₀H₂₂N₂O₅
• Molecular Weight: 370.40
• CAS Registry Number: 21881-18-5
• SMILES: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=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: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 666.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 356.7±31.5°C (Cal.)
• Refractive index: 1.581 (Cal.)

Safety Data

• Safety Description: IRRITANT

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.