Methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxopentanoate
[CAS# 79787-27-2]

Identification

• Name: Methyl (2R)-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Amino-5-Oxopentanoate
• Synonyms: Methyl (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-Pentanoate; (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-5-Oxopentanoic Acid Methyl Ester; (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-Valeric Acid Methyl Ester
• Molecular Formula: C₂₀H₃₄N₄O₁₁
• Molecular Weight: 506.51
• CAS Registry Number: 79787-27-2
• SMILES: [C@@H](C(=O)OC)(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
• InChI: 1S/C20H34N4O11/c1-8(17(29)24-11(19(31)33-4)5-6-13(21)27)22-18(30)9(2)34-16-14(23-10(3)26)20(32)35-12(7-25)15(16)28/h8-9,11-12,14-16,20,25,28,32H,5-7H2,1-4H3,(H2,21,27)(H,22,30)(H,23,26)(H,24,29)/t8-,9?,11+,12+,14+,15+,16+,20-/m0/s1
• InChIKey: OXSVRXKURHXDIV-OTVXWGLQSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 957.712°C at 760 mmHg (Cal.)
• Flash point: 533.005°C (Cal.)