N-Acetylmuramyl-L-Alanyl-D-Isoglutamine-6-O-Stearoyl
[CAS# 60398-08-5]

Identification

• Name: N-Acetylmuramyl-L-Alanyl-D-Isoglutamine-6-O-Stearoyl
• Synonyms: (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Octadecanoyloxymethyl)Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoic Acid; (2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(1-Oxooctadecoxymethyl)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Amino-5-Oxopentanoic Acid; (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Stearoyloxymethyl)Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Keto-Valeric Acid
• Molecular Formula: C₃₇H₆₆N₄O₁₂
• Molecular Weight: 758.95
• CAS Registry Number: 60398-08-5
• SMILES: [C@@H](C(=O)O)(NC([C@@H](NC(C(C)O[C@H]1[C@H](O)[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)O[C@H](O)[C@@H]1NC(=O)C)=O)C)=O)CCC(=O)N
• InChI: 1S/C37H66N4O12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(44)51-23-28-32(45)33(31(37(50)53-28)40-26(4)42)52-25(3)35(47)39-24(2)34(46)41-27(36(48)49)21-22-29(38)43/h24-25,27-28,31-33,37,45,50H,5-23H2,1-4H3,(H2,38,43)(H,39,47)(H,40,42)(H,41,46)(H,48,49)/t24-,25?,27+,28+,31+,32+,33+,37-/m0/s1
• InChIKey: YGIZBPAKZVZJTK-DPBOHRDYSA-N
• Protein Sequence: Ac-(6-O-stearoyl)-muramyl-Ala-D-Glu-NH2

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 1018.48°C at 760 mmHg (Cal.)
• Flash point: 569.756°C (Cal.)