N-Acetyl-beta-D-Glucosaminyl-N-Acetylmuramyl-L-Alanyl-D-Isoglutamine
[CAS# 70280-03-4]

Identification

• Name: N-Acetyl-beta-D-Glucosaminyl-N-Acetylmuramyl-L-Alanyl-D-Isoglutamine
• Synonyms: (4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2R,3R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1-[(1R)-1-Acetamido-2-Oxo-Ethyl]-3,4-Dihydroxy-Butoxy]Propanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoic Acid; (4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2R,3R)-2-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1-[(1R)-1-Acetamido-2-Oxoethyl]-3,4-Dihydroxybutoxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Amino-5-Oxopentanoic Acid; (4R)-4-[[(2S)-2-[[(2R)-2-[(1R,2R,3R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1-[(1R)-1-Acetamido-2-Keto-Ethyl]-3,4-Dihydroxy-Butoxy]Propanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Keto-Valeric Acid
• Molecular Formula: C₂₇H₄₅N₅O₁₆
• Molecular Weight: 695.68
• CAS Registry Number: 70280-03-4
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@@H]([C@H](O[C@@H](C(N[C@H](C(N[C@@H](C(=O)N)CCC(=O)O)=O)C)=O)C)[C@@H](NC(=O)C)C=O)[C@H](O)CO)NC(=O)C
• InChI: 1S/C27H45N5O16/c1-10(25(44)32-14(24(28)43)5-6-18(39)40)29-26(45)11(2)46-22(15(7-33)30-12(3)36)23(16(38)8-34)48-27-19(31-13(4)37)21(42)20(41)17(9-35)47-27/h7,10-11,14-17,19-23,27,34-35,38,41-42H,5-6,8-9H2,1-4H3,(H2,28,43)(H,29,45)(H,30,36)(H,31,37)(H,32,44)(H,39,40)/t10-,11+,14+,15-,16+,17+,19+,20+,21+,22+,23+,27-/m0/s1
• InChIKey: JPBBNLWRCVBGJS-KCAUTNRHSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 1270.07°C at 760 mmHg (Cal.)
• Flash point: 721.912°C (Cal.)