N-Acetyl-3-((2-benzoyl-propyl)thio)alanine
[CAS# 42293-72-1]

Identification

• Name: N-Acetyl-3-((2-benzoyl-propyl)thio)alanine
• Synonyms: (2R)-2-Acetamido-3-(2-Methyl-3-Oxo-3-Phenyl-Propyl)Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[(2-Methyl-3-Oxo-3-Phenylpropyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(3-Keto-2-Methyl-3-Phenyl-Propyl)Thio]Propionic Acid
• Molecular Formula: C₁₅H₁₉NO₄S
• Molecular Weight: 309.38
• CAS Registry Number: 42293-72-1
• SMILES: [C@H](C(=O)O)(NC(=O)C)CSCC(C)C(C1=CC=CC=C1)=O
• InChI: 1S/C15H19NO4S/c1-10(14(18)12-6-4-3-5-7-12)8-21-9-13(15(19)20)16-11(2)17/h3-7,10,13H,8-9H2,1-2H3,(H,16,17)(H,19,20)/t10?,13-/m0/s1
• InChIKey: FXPSJTKESYQXLX-HQVZTVAUSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 577.529°C at 760 mmHg (Cal.)
• Flash point: 303.079°C (Cal.)