Methyl 2-[2-[[2-[(2-Acetamido-4,5,6-Trihydroxy-1-Oxohexan-3-Yl)Amino]Acetyl]Amino]Propanoylamino]-5-Amino-5-Oxopentanoate
[CAS# 107910-44-1]

Identification

• Name: Methyl 2-[2-[[2-[(2-Acetamido-4,5,6-Trihydroxy-1-Oxohexan-3-Yl)Amino]Acetyl]Amino]Propanoylamino]-5-Amino-5-Oxopentanoate
• Synonyms: Methyl 2-[2-[[2-[[1-(1-Acetamido-2-Oxo-Ethyl)-2,3,4-Trihydroxy-Butyl]Amino]Acetyl]Amino]Propanoylamino]-5-Amino-5-Oxo-Pentanoate; 2-[[2-[[2-[[1-(1-Acetamido-2-Oxoethyl)-2,3,4-Trihydroxybutyl]Amino]-1-Oxoethyl]Amino]-1-Oxopropyl]Amino]-5-Amino-5-Oxopentanoic Acid Methyl Ester; 2-[2-[[2-[[1-(1-Acetamido-2-Keto-Ethyl)-2,3,4-Trihydroxy-Butyl]Amino]Acetyl]Amino]Propanoylamino]-5-Amino-5-Keto-Valeric Acid Methyl Ester
• Molecular Formula: C₁₉H₃₃N₅O₁₀
• Molecular Weight: 491.50
• CAS Registry Number: 107910-44-1
• SMILES: C(C(N)=O)CC(NC(C(NC(CNC(C(NC(C)=O)C=O)C(C(CO)O)O)=O)C)=O)C(OC)=O
• InChI: 1S/C19H33N5O10/c1-9(18(32)24-11(19(33)34-3)4-5-14(20)29)22-15(30)6-21-16(17(31)13(28)8-26)12(7-25)23-10(2)27/h7,9,11-13,16-17,21,26,28,31H,4-6,8H2,1-3H3,(H2,20,29)(H,22,30)(H,23,27)(H,24,32)
• InChIKey: XHVUPHDJHYAXBN-UHFFFAOYSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 994.017°C at 760 mmHg (Cal.)
• Flash point: 554.962°C (Cal.)