(2S)-2-[[(2S,3R)-3-Phenyl-2-(Sulfanylmethyl)Butanoyl]Amino]Propanoic Acid
[CAS# 155895-89-9]

Identification

• Name: (2S)-2-[[(2S,3R)-3-Phenyl-2-(Sulfanylmethyl)Butanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(2S,3R)-2-(Mercaptomethyl)-1-Oxo-3-Phenylbutyl]Amino]Propanoic Acid; (2S)-2-[[(2S,3R)-2-(Mercaptomethyl)-3-Phenyl-Butanoyl]Amino]Propionic Acid; L-Alanine, N-(2-(Mercaptomethyl)-1-Oxo-3-Phenylbutyl)-, (S-(R*,S*))-
• Molecular Formula: C₁₄H₁₉NO₃S
• Molecular Weight: 281.37
• CAS Registry Number: 155895-89-9
• SMILES: [C@H]([C@H](C1=CC=CC=C1)C)(C(=O)N[C@H](C(=O)O)C)CS
• InChI: 1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12-/m0/s1
• InChIKey: ABBSOQIXYPZCKO-NHCYSSNCSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 512.973°C at 760 mmHg (Cal.)
• Flash point: 264.037°C (Cal.)