N-(2-(Mercaptomethyl)-1-oxo-3-phenylpropyl)-L-Leucine
[CAS# 80970-04-3]

Identification

• Name: N-(2-(Mercaptomethyl)-1-oxo-3-phenylpropyl)-L-Leucine
• Synonyms: (2S)-4-Methyl-2-[[2-(Phenylmethyl)-3-Sulfanyl-Propanoyl]Amino]Pentanoic Acid; (2S)-2-[[2-(Mercaptomethyl)-1-Oxo-3-Phenylpropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[2-(Benzyl)-3-Mercapto-Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₁₆H₂₃NO₃S
• Molecular Weight: 309.42
• CAS Registry Number: 80970-04-3
• SMILES: [C@H](C(=O)O)(NC(C(CC1=CC=CC=C1)CS)=O)CC(C)C
• InChI: 1S/C16H23NO3S/c1-11(2)8-14(16(19)20)17-15(18)13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m0/s1
• InChIKey: PISCFNDSARITBO-KZUDCZAMSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 533.958°C at 760 mmHg (Cal.)
• Flash point: 276.728°C (Cal.)