(2R)-2-[1-[(2R)-2-Acetamido-3-Hydroxy-3-Oxopropyl]Sulfanylisoindol-2-Yl]-3-Methylbutanoic Acid
[CAS# 126478-70-4]

Identification

• Name: (2R)-2-[1-[(2R)-2-Acetamido-3-Hydroxy-3-Oxopropyl]Sulfanylisoindol-2-Yl]-3-Methylbutanoic Acid
• Synonyms: (2R)-2-[1-[(2R)-2-Acetamido-3-Hydroxy-3-Oxo-Propyl]Sulfanylisoindol-2-Yl]-3-Methyl-Butanoic Acid; (2R)-2-[1-[[(2R)-2-Acetamido-3-Hydroxy-3-Oxopropyl]Thio]-2-Isoindolyl]-3-Methylbutanoic Acid; (2R)-2-[1-[[(2R)-2-Acetamido-3-Hydroxy-3-Keto-Propyl]Thio]Isoindol-2-Yl]-3-Methyl-Butyric Acid
• Molecular Formula: C₁₈H₂₂N₂O₅S
• Molecular Weight: 378.44
• CAS Registry Number: 126478-70-4
• SMILES: [C@H]([N]1C(=C2C(=C1)C=CC=C2)SC[C@@H](C(=O)O)NC(=O)C)(C(=O)O)C(C)C
• InChI: 1S/C18H22N2O5S/c1-10(2)15(18(24)25)20-8-12-6-4-5-7-13(12)16(20)26-9-14(17(22)23)19-11(3)21/h4-8,10,14-15H,9H2,1-3H3,(H,19,21)(H,22,23)(H,24,25)/t14-,15+/m0/s1
• InChIKey: DLQUETFHQQTKAC-LSDHHAIUSA-N

Properties

• Density: 1.356g/cm³ (Cal.)
• Boiling point: 685.984°C at 760 mmHg (Cal.)
• Flash point: 368.67°C (Cal.)