N-Palmitoyltryptophan N-Hexyl Ester
[CAS# 81591-68-6]

Identification

• Name: N-Palmitoyltryptophan N-Hexyl Ester
• Synonyms: (2S)-3-(1H-Indol-3-Yl)-2-(1-Oxohexadecylamino)Propanoic Acid Hexyl Ester; (2S)-3-(1H-Indol-3-Yl)-2-Palmitamido-Propionic Acid Hexyl Ester; N-Palmitoyl-L-Tryptophan N-Hexyl Ester
• Molecular Formula: C₃₃H₅₄N₂O₃
• Molecular Weight: 526.80
• CAS Registry Number: 81591-68-6
• SMILES: [C@H](C(=O)OCCCCCC)(NC(CCCCCCCCCCCCCCC)=O)CC1=C[NH]C2=CC=CC=C12
• InChI: 1S/C33H54N2O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-24-32(36)35-31(33(37)38-25-21-8-6-4-2)26-28-27-34-30-23-20-19-22-29(28)30/h19-20,22-23,27,31,34H,3-18,21,24-26H2,1-2H3,(H,35,36)/t31-/m0/s1
• InChIKey: COPUYRGDQIDBFB-HKBQPEDESA-N

Properties

• Density: 1.005g/cm³ (Cal.)
• Boiling point: 676.997°C at 760 mmHg (Cal.)
• Flash point: 363.235°C (Cal.)