N-Acetylmuramyl-Alanyl-Isoglutaminyl-Lysine
[CAS# 59275-09-1]

Identification

• Name: N-Acetylmuramyl-Alanyl-Isoglutaminyl-Lysine
• Synonyms: (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoyl]Amino]-6-Amino-Hexanoic Acid; (2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Amino-1,5-Dioxopentyl]Amino]-6-Aminohexanoic Acid; (2S)-2-[[(2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Keto-Pentanoyl]Amino]-6-Amino-Hexanoic Acid
• Molecular Formula: C₂₅H₄₄N₆O₁₂
• Molecular Weight: 620.66
• CAS Registry Number: 59275-09-1
• SMILES: [C@H](C(=O)O)(NC([C@H](NC([C@@H](NC(C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)C)=O)C)=O)CCC(=O)N)=O)CCCCN
• InChI: 1S/C25H44N6O12/c1-11(21(36)30-14(7-8-17(27)34)23(38)31-15(24(39)40)6-4-5-9-26)28-22(37)12(2)42-20-18(29-13(3)33)25(41)43-16(10-32)19(20)35/h11-12,14-16,18-20,25,32,35,41H,4-10,26H2,1-3H3,(H2,27,34)(H,28,37)(H,29,33)(H,30,36)(H,31,38)(H,39,40)/t11-,12?,14+,15-,16+,18+,19+,20+,25-/m0/s1
• InChIKey: HBFYUUIFVHDXAV-LWGIHIILSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 1144.808°C at 760 mmHg (Cal.)
• Flash point: 646.156°C (Cal.)