(2S)-2-{[(2S)-2-Ammonio-3-Hydroxypropanoyl]Amino}-3-Phenylpropanoate
[CAS# 16875-28-8]

Identification

• Name: (2S)-2-{[(2S)-2-Ammonio-3-Hydroxypropanoyl]Amino}-3-Phenylpropanoate
• Synonyms: (2S)-2-{[(2S)-2-amino-3-hydroxypropanoyl]amino}-3-phenylpropanoic acid; L-seryl-L-phenylalanine; L-Ser-L-Phe; Serinylphenylalanine
• Molecular Formula: C₁₂H₁₆N₂O₄
• Molecular Weight: 252.27
• CAS Registry Number: 16875-28-8
• SMILES: [O-]C(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)Cc1ccccc1
• InChI: 1S/C12H16N2O4/c13-9(7-15)11(16)14-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1
• InChIKey: PPQRSMGDOHLTBE-UWVGGRQHSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 589.593°C at 760 mmHg (Cal.)
• Flash point: 310.375°C (Cal.)
• Refractive index: 1.591 (Cal.)

References

• (1): I.H. Helle, C.V. Lokken, C.H. Gorbitz, B. Dalhus. l-Seryl-l-phenylalanine, Acta Cryst C 2004 Volume 60 Part 10 Page o771-o772