Methyl (4S)-4-[[(2S)-2-[[2-[[(3R,4S,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Amino]Acetyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxopentanoate
[CAS# 107910-43-0]

Identification

• Name: Methyl (4S)-4-[[(2S)-2-[[2-[[(3R,4S,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Amino]Acetyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxopentanoate
• Synonyms: Methyl (4S)-4-[[(2S)-2-[[2-[[(3R,4S,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Amino]Acetyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoate; (4S)-4-[[(2S)-2-[[2-[[(3R,4S,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Amino]-1-Oxoethyl]Amino]-1-Oxopropyl]Amino]-5-Amino-5-Oxopentanoic Acid Methyl Ester; (4S)-4-[[(2S)-2-[[2-[[(3R,4S,5S,6R)-3-Acetamido-2,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Amino]Acetyl]Amino]Propanoyl]Amino]-5-Amino-5-Keto-Valeric Acid Methyl Ester
• Molecular Formula: C₁₉H₃₃N₅O₁₀
• Molecular Weight: 491.50
• CAS Registry Number: 107910-43-0
• SMILES: [C@H](NC([C@@H](NC(CN[C@H]1[C@H](C(O)O[C@@H]([C@H]1O)CO)NC(C)=O)=O)C)=O)(CCC(=O)OC)C(=O)N
• InChI: 1S/C19H33N5O10/c1-8(18(31)24-10(17(20)30)4-5-13(28)33-3)22-12(27)6-21-14-15(23-9(2)26)19(32)34-11(7-25)16(14)29/h8,10-11,14-16,19,21,25,29,32H,4-7H2,1-3H3,(H2,20,30)(H,22,27)(H,23,26)(H,24,31)/t8-,10-,11+,14-,15+,16+,19?/m0/s1
• InChIKey: GGNLKZKIBWFDJT-OZOZQFGVSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 982.442°C at 760 mmHg (Cal.)
• Flash point: 547.961°C (Cal.)