beta-Phenylpropionyl-L-Phenylalanine
[CAS# 21888-30-2]

Identification

• Name: beta-Phenylpropionyl-L-Phenylalanine
• Synonyms: (2S)-2-[(1-Oxo-3-Phenylpropyl)Amino]-3-Phenylpropanoic Acid; (2S)-3-Phenyl-2-(3-Phenylpropanoylamino)Propionic Acid; L-Phenylalanine, N-(1-Oxo-3-Phenylpropyl)-
• Molecular Formula: C₁₈H₁₉NO₃
• Molecular Weight: 297.35
• CAS Registry Number: 21888-30-2
• SMILES: [C@H](NC(=O)CCC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)O
• InChI: 1S/C18H19NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)(H,21,22)/t16-/m0/s1
• InChIKey: PKOVGZQJPDDEJO-INIZCTEOSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 555.371°C at 760 mmHg (Cal.)
• Flash point: 289.678°C (Cal.)