N-Acetyl-Thiomuramyl-Alanyl-Isoglutamine
[CAS# 83375-11-5]

Identification

• Name: N-Acetyl-Thiomuramyl-Alanyl-Isoglutamine
• Synonyms: (E,2R)-2-[[(3S)-2-Acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-Amino-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxybutyl]-4-Hydroxy-Thiazetidin-4-Yl]Amino]-5-Amino-5-Oxo-Pent-3-Enoic Acid; (E,2R)-2-[[(3S)-2-Acetyl-3-[3-[[(2S,3R,4R,5S,6R)-3-Amino-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]Butyl]-4-Hydroxy-4-Thiazetidinyl]Amino]-5-Amino-5-Oxopent-3-Enoic Acid; (E,2R)-2-[[(3S)-2-Acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-Amino-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxybutyl]-4-Hydroxy-Thiazetidin-4-Yl]Amino]-5-Amino-5-Keto-Pent-3-Enoic Acid
• Molecular Formula: C₁₉H₃₂N₄O₁₀S
• Molecular Weight: 508.54
• CAS Registry Number: 83375-11-5
• SMILES: [C@H]1(N(SC1(O)N[C@@H](C(=O)O)\C=C\C(=O)N)C(=O)C)CCC(O[C@H]2[C@H](O)[C@H](O[C@H](O)[C@@H]2N)CO)C
• InChI: 1S/C19H32N4O10S/c1-8(32-16-14(21)18(30)33-11(7-24)15(16)27)3-5-12-19(31,34-23(12)9(2)25)22-10(17(28)29)4-6-13(20)26/h4,6,8,10-12,14-16,18,22,24,27,30-31H,3,5,7,21H2,1-2H3,(H2,20,26)(H,28,29)/b6-4+/t8?,10-,11-,12+,14-,15-,16-,18+,19?/m1/s1
• InChIKey: ZBQHQSATUKWEDY-YTCNLXIISA-N