6-O-Stearoyl-N-Acetylmuramyl-alpha-Aminobutyryl-Isoglutamine
[CAS# 92627-93-5]

Identification

• Name: 6-O-Stearoyl-N-Acetylmuramyl-alpha-Aminobutyryl-Isoglutamine
• Synonyms: 4-[2-[2-[1-(1-Acetamido-2-Oxo-Ethyl)-2,3-Dihydroxy-4-Octadecanoyloxy-Butoxy]Propanoylamino]Butanoylamino]-5-Amino-5-Oxo-Pentanoic Acid; 4-[[2-[[2-[1-(1-Acetamido-2-Oxoethyl)-2,3-Dihydroxy-4-(1-Oxooctadecoxy)Butoxy]-1-Oxopropyl]Amino]-1-Oxobutyl]Amino]-5-Am
• Molecular Formula: C₃₈H₆₈N₄O₁₂
• Molecular Weight: 772.97
• CAS Registry Number: 92627-93-5
• SMILES: C(CCCCCCCCCCCCCCCC)C(OCC(C(C(OC(C(NC(C(NC(CCC(O)=O)C(=O)N)=O)CC)=O)C)C(C=O)NC(C)=O)O)O)=O
• InChI: 1S/C38H68N4O12/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-33(48)53-25-31(45)34(49)35(30(24-43)40-27(4)44)54-26(3)37(51)41-28(6-2)38(52)42-29(36(39)50)22-23-32(46)47/h24,26,28-31,34-35,45,49H,5-23,25H2,1-4H3,(H2,39,50)(H,40,44)(H,41,51)(H,42,52)(H,46,4
• InChIKey: NRIMATJNXRMBEV-UHFFFAOYSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 1039.764°C at 760 mmHg (Cal.)
• Flash point: 582.628°C (Cal.)