[2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]Acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-Aminopropanoate
[CAS# 143896-40-6]

Identification

• Name: [2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]Acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-Aminopropanoate
• Synonyms: [2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2-Amino-Propanoate; (2S)-3-[[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Aminopropanoic Acid [2-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxoethyl] Ester; (2S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2-Amino-Propionic Acid [2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Acetyl] Ester
• Molecular Formula: C₁₆H₂₈N₄O₁₁
• Molecular Weight: 452.42
• CAS Registry Number: 143896-40-6
• SMILES: [C@H](C(NCC(=O)OC([C@@H](N)CO[C@@H]1[C@@H]([C@@H](O)[C@@H](O)[C@H](O1)CO)NC(=O)C)=O)=O)(N)CO
• InChI: 1S/C16H28N4O11/c1-6(23)20-11-13(26)12(25)9(4-22)30-16(11)29-5-8(18)15(28)31-10(24)2-19-14(27)7(17)3-21/h7-9,11-13,16,21-22,25-26H,2-5,17-18H2,1H3,(H,19,27)(H,20,23)/t7-,8-,9+,11+,12-,13+,16-/m0/s1
• InChIKey: UOOOFBAWVAQTJK-VSSKVTDTSA-N

Properties

• Density: 1.531g/cm³ (Cal.)
• Boiling point: 888.428°C at 760 mmHg (Cal.)
• Flash point: 491.104°C (Cal.)