(2S)-2-[[(2S)-3-Phenyl-2-[(2,2,2-Trifluoroacetyl)Amino]Propanoyl]Amino]Propanoic Acid
[CAS# 3801-77-2]

Identification

• Name: (2S)-2-[[(2S)-3-Phenyl-2-[(2,2,2-Trifluoroacetyl)Amino]Propanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-Oxo-3-Phenyl-2-[(2,2,2-Trifluoro-1-Oxoethyl)Amino]Propyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-3-Phenyl-2-[(2,2,2-Trifluoroacetyl)Amino]Propanoyl]Amino]Propionic Acid; (2S)-2-[[(2S)-3-Phenyl-2-(2,2,2-Trifluoroethanoylamino)Propanoyl]Amino]Propanoic Acid
• Molecular Formula: C₁₄H₁₅F₃N₂O₄
• Molecular Weight: 332.28
• CAS Registry Number: 3801-77-2
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(=O)C(F)(F)F)CC1=CC=CC=C1)=O)C
• InChI: 1S/C14H15F3N2O4/c1-8(12(21)22)18-11(20)10(19-13(23)14(15,16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,18,20)(H,19,23)(H,21,22)/t8-,10-/m0/s1
• InChIKey: CPHPEWFIOVFACR-WPRPVWTQSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 575.228°C at 760 mmHg (Cal.)
• Flash point: 301.687°C (Cal.)