(2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Hexadecanoylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxypropanoyl]Amino]-3-Hydroxypropanoyl]Amino]-4-Oxobutanoyl]Amino]Propanoic Acid
[CAS# 145671-08-5]

Identification

• Name: (2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Hexadecanoylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxypropanoyl]Amino]-3-Hydroxypropanoyl]Amino]-4-Oxobutanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Hexadecanoylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-4-Oxo-Butanoyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-4-Amino-2-[[(2S)-3-Hydroxy-2-[[(2S)-3-Hydroxy-2-[[(2S)-3-(4-Hydroxyphenyl)-1-Oxo-2-(1-Oxohexadecylamino)Propyl]Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1,4-Dioxobutyl]Amino]Propanoic Acid; (2S)-2-[[(2S)-4-Amino-2-[[(2S)-3-Hydroxy-2-[[(2S)-3-Hydroxy-2-[[(2S)-3-(4-Hydroxyphenyl)-2-Palmitamido-Propanoyl]Amino]Propanoyl]Amino]Propanoyl]Amino]-4-Keto-Butanoyl]Amino]Propionic Acid
• Molecular Formula: C₃₈H₆₂N₆O₁₁
• Molecular Weight: 778.94
• CAS Registry Number: 145671-08-5
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CCCCCCCCCCCCCCC)=O)CC1=CC=C(O)C=C1)=O)CO)=O)CO)=O)CC(=O)N)=O)C
• InChI: 1S/C38H62N6O11/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(49)41-28(21-26-17-19-27(47)20-18-26)35(51)43-31(24-46)37(53)44-30(23-45)36(52)42-29(22-32(39)48)34(50)40-25(2)38(54)55/h17-20,25,28-31,45-47H,3-16,21-24H2,1-2H3,(H2,39,48)(H,40,50)(H,41,49)(H,42,52)(H,43,51)(H,44,53)(H,54,55)/t25-,28-,29-,30-,31-/m0/s1
• InChIKey: JEAQWISLKGHURS-YBVOJSTASA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 1196.405°C at 760 mmHg (Cal.)
• Flash point: 677.362°C (Cal.)