Phenylalanyl-Prolyl-Alanine
[CAS# 81391-38-0]

Identification

• Name: Phenylalanyl-Prolyl-Alanine
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-2-Amino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Propanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-1-[(2S)-2-Amino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Propionic Acid
• Molecular Formula: C₁₇H₂₃N₃O₄
• Molecular Weight: 333.39
• CAS Registry Number: 81391-38-0
• SMILES: [C@@H](N)(C(=O)N1[C@H](C(=O)N[C@@H](C)C(=O)O)CCC1)CC2=CC=CC=C2
• InChI: 1S/C17H23N3O4/c1-11(17(23)24)19-15(21)14-8-5-9-20(14)16(22)13(18)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,21)(H,23,24)/t11-,13-,14-/m0/s1
• InChIKey: JLLJTMHNXQTMCK-UBHSHLNASA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 651.348°C at 760 mmHg (Cal.)
• Flash point: 347.723°C (Cal.)