Udp-N-Acetylmuramylalanine
[CAS# 1941-66-8]

Identification

• Name: Udp-N-Acetylmuramylalanine
• Synonyms: (2R)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoyl]Amino]Propanoic Acid; (2R)-2-[[(2R)-2-[[(3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-5-Hydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]Propanoic Acid; (2R)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxypropanoyl]Amino]Propionic Acid
• Molecular Formula: C₂₃H₃₆N₄O₂₀P₂
• Molecular Weight: 750.50
• CAS Registry Number: 1941-66-8
• SMILES: [C@H]1(NC(=O)C)C(O[C@@H]([C@@H](O)[C@@H]1O[C@@H](C(=O)N[C@@H](C(=O)O)C)C)CO)O[P](O[P](OC[C@H]3O[C@@H](N2C(=O)NC(=O)C=C2)[C@H](O)[C@@H]3O)(=O)O)(=O)O
• InChI: 1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9-,11-,12-,14-,15-,16-,17-,18-,20-,22?/m1/s1
• InChIKey: NTMMCWJNQNKACG-JKXSCJIPSA-N

Properties

• Density: 1.747g/cm³ (Cal.)