N-Acetyl-Demethylmuramyl-Alanyl-Isoglutamine
[CAS# 60355-77-3]

Identification

• Name: N-Acetyl-Demethylmuramyl-Alanyl-Isoglutamine
• Synonyms: (2R)-2-[[2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoylamino]Acetyl]Amino]-5-Amino-5-Oxo-Pentanoic Acid; (2R)-2-[[2-[[2-[[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-5-Amino-5-Oxopentanoic Acid; (2R)-2-[[2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxypropanoylamino]Acetyl]Amino]-5-Amino-5-Keto-Valeric Acid
• Molecular Formula: C₁₈H₃₀N₄O₁₁
• Molecular Weight: 478.46
• CAS Registry Number: 60355-77-3
• SMILES: [C@@H](C(=O)O)(NC(CNC(C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(=O)C)=O)=O)CCC(=O)N
• InChI: 1S/C18H30N4O11/c1-7(16(28)20-5-12(26)22-9(17(29)30)3-4-11(19)25)32-15-13(21-8(2)24)18(31)33-10(6-23)14(15)27/h7,9-10,13-15,18,23,27,31H,3-6H2,1-2H3,(H2,19,25)(H,20,28)(H,21,24)(H,22,26)(H,29,30)/t7?,9-,10-,13-,14-,15-,18+/m1/s1
• InChIKey: USNRRZCDLWCCFF-SBFLNXPPSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 1055.766°C at 760 mmHg (Cal.)
• Flash point: 592.306°C (Cal.)