N-Palmitoyl-Seryl-Seryl-Asparaginyl-Alanine
[CAS# 90877-69-3]

Identification

• Name: N-Palmitoyl-Seryl-Seryl-Asparaginyl-Alanine
• Synonyms: (2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-(Hexadecanoylamino)-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-1-Oxo-2-(1-Oxohexadecylamino)Propyl]Amino]-
• Molecular Formula: C₂₉H₅₃N₅O₉
• Molecular Weight: 615.77
• CAS Registry Number: 90877-69-3
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC(CCCCCCCCCCCCCCC)=O)CO)=O)CO)=O)CC(=O)N)=O)C
• InChI: 1S/C29H53N5O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(38)32-22(18-35)27(40)34-23(19-36)28(41)33-21(17-24(30)37)26(39)31-20(2)29(42)43/h20-23,35-36H,3-19H2,1-2H3,(H2,30,37)(H,31,39)(H,32,38)(H,33,41)(H,34,40)(H,42,43)/t20-,21-,22-,23-/m0/s1
• InChIKey: MFYAQFYIDXXKQG-MLCQCVOFSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 1014.076°C at 760 mmHg (Cal.)
• Flash point: 567.093°C (Cal.)