L-Tyrosyl-L-prolyl-L-phenylalanine
[CAS# 72122-59-9]

Identification

• Name: L-Tyrosyl-L-prolyl-L-phenylalanine
• Synonyms: (S)-2-({(S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carbonyl}-amino)-3-phenyl-propionic acid; β-CASOMORPHIN(1-3)
• Molecular Formula: C₂₃H₂₇N₃O₅
• Molecular Weight: 425.48
• CAS Registry Number: 72122-59-9
• SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O
• InChI: 1S/C23H27N3O5/c24-18(13-16-8-10-17(27)11-9-16)22(29)26-12-4-7-20(26)21(28)25-19(23(30)31)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-20,27H,4,7,12-14,24H2,(H,25,28)(H,30,31)/t18-,19-,20-/m0/s1
• InChIKey: RCMWNNJFKNDKQR-UFYCRDLUSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 767.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 418.0±32.9°C (Cal.)