N-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyl]-L-Tyrosine
[CAS# 259143-19-6]

Identification

• Name: N-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyl]-L-Tyrosine
• Synonyms: "N-(L-tyrosine)-9Z,12Z,15Z-octadecatrienamide"; MS/MS-1115626; MS/MS-1117948
• Molecular Formula: C₂₇H₃₉NO₄
• Molecular Weight: 441.60
• CAS Registry Number: 259143-19-6
• SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O
• InChI: 1S/C27H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h3-4,6-7,9-10,18-21,25,29H,2,5,8,11-17,22H2,1H3,(H,28,30)(H,31,32)/b4-3-,7-6-,10-9-/t25-/m0/s1
• InChIKey: DEQLZTQITSWABQ-GMOGWPNXSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 660.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 353.4±31.5°C (Cal.)
• Refractive index: 1.542 (Cal.)