(2R)-2-[[(2S)-2-[[(2R)-2-[(3R,4R,5S)-5-Acetamido-3-Hydroxy-2-(Hydroxymethyl)Piperidin-4-Yl]Oxypropanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxopentanoic Acid, 2,2,2-Trifluoroacetic Acid
[CAS# 131432-97-8]

Identification

• Name: (2R)-2-[[(2S)-2-[[(2R)-2-[(3R,4R,5S)-5-Acetamido-3-Hydroxy-2-(Hydroxymethyl)Piperidin-4-Yl]Oxypropanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxopentanoic Acid, 2,2,2-Trifluoroacetic Acid
• Synonyms: (2R)-2-[[(2S)-2-[[(2R)-2-[[(3R,4R,5S)-5-Acetamido-3-Hydroxy-2-(Hydroxymethyl)-4-Piperidyl]Oxy]Propanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoic Acid; 2,2,2-Trifluoroacetic Acid; (2R)-2-[[(2S)-2-[[(2R)-2-[[(3R,4R,5S)-5-Acetamido-3-Hydroxy-2-(Hydroxymethyl)-4-Piperidinyl]Oxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Amino-5-Oxopentanoic Acid; 2,2,2-Trifluoroacetic Acid; (2R)-2-[[(2S)-2-[[(2R)-2-[[(3R,4R,5S)-5-Acetamido-3-Hydroxy-2-Methylol-4-Piperidyl]Oxy]Propanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Keto-Valeric Acid; 2,2,2-Trifluoroacetic Acid
• Molecular Formula: C₂₁H₃₄F₃N₅O₁₁
• Molecular Weight: 589.52
• CAS Registry Number: 131432-97-8
• SMILES: [C@H]1(O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N)C)C)[C@H](O)C(NC[C@@H]1NC(=O)C)CO.O=C(O)C(F)(F)F
• InChI: 1S/C19H33N5O9.C2HF3O2/c1-8(17(29)24-11(19(31)32)4-5-14(20)27)22-18(30)9(2)33-16-12(23-10(3)26)6-21-13(7-25)15(16)28;3-2(4,5)1(6)7/h8-9,11-13,15-16,21,25,28H,4-7H2,1-3H3,(H2,20,27)(H,22,30)(H,23,26)(H,24,29)(H,31,32);(H,6,7)/t8-,9+,11+,12-,13?,15+,16+;/m0./s1
• InChIKey: WJWNHNINOVANSJ-ZEYWSJKMSA-N

Properties

• Boiling point: 985.8°C at 760 mmHg (Cal.)
• Flash point: 550°C (Cal.)