2-[[(2S,3S)-2-[[2-[[(2S)-2-Amino-3-[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxypropanoyl]Amino]Acetyl]Amino]-3-Methylpentanoyl]Amino]Acetic Acid
[CAS# 105678-35-1]

Identification

• Name: 2-[[(2S,3S)-2-[[2-[[(2S)-2-Amino-3-[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxypropanoyl]Amino]Acetyl]Amino]-3-Methylpentanoyl]Amino]Acetic Acid
• Synonyms: 2-[[(2S,3S)-2-[[2-[[(2S)-2-Amino-3-[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Propanoyl]Amino]Acetyl]Amino]-3-Methyl-Pentanoyl]Amino]Acetic Acid; 2-[[(2S,3S)-2-[[2-[[(2S)-2-Amino-1-Oxo-3-[[(2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]Propyl]Amino]-1-Oxoethyl]Amino]-3-Methyl-1-Oxopentyl]Amino]Acetic Acid; 2-[[(2S,3S)-2-[2-[[(2S)-2-Amino-3-[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-Propanoyl]Amino]Ethanoylamino]-3-Methyl-Pentanoyl]Amino]Ethanoic Acid
• Molecular Formula: C₁₈H₃₂N₄O₁₀
• Molecular Weight: 464.47
• CAS Registry Number: 105678-35-1
• SMILES: [C@H](C(NCC(=O)O)=O)(NC(CNC([C@@H](N)CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1)=O)=O)[C@H](CC)C
• InChI: 1S/C18H32N4O10/c1-3-8(2)13(17(30)21-5-12(25)26)22-11(24)4-20-16(29)9(19)6-31-18-15(28)14(27)10(23)7-32-18/h8-10,13-15,18,23,27-28H,3-7,19H2,1-2H3,(H,20,29)(H,21,30)(H,22,24)(H,25,26)/t8-,9-,10+,13-,14-,15+,18+/m0/s1
• InChIKey: LRNLNKYLGOEADC-JHFPURAPSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 911.223°C at 760 mmHg (Cal.)
• Flash point: 504.89°C (Cal.)