3-Fluoro-L-phenylalanyl-L-alanyl-L-alanine
[CAS# 87184-16-5]

Identification

• Name: 3-Fluoro-L-phenylalanyl-L-alanyl-L-alanine
• Synonyms: (2S)-2-[(2S)-2-[(2S)-2-amino-3-(3-fluorophenyl)propanamido]propanamido]propanoic acid; 2-{2-[2-Amino-3-(3-fluoro-phenyl)-propionylamino]-propionylamino}-propionic acid; 3-fluorophenylalanyl-alanyl-alanine
• Molecular Formula: C₁₅H₂₀FN₃O₄
• Molecular Weight: 325.34
• CAS Registry Number: 87184-16-5
• SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC(=CC=C1)F)N
• InChI: 1S/C15H20FN3O4/c1-8(13(20)19-9(2)15(22)23)18-14(21)12(17)7-10-4-3-5-11(16)6-10/h3-6,8-9,12H,7,17H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/t8-,9-,12-/m0/s1
• InChIKey: DYJPZEILSXWEAK-AUTRQRHGSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 643.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 342.9±31.5°C (Cal.)