(2S)-2-[[(2S)-2-Acetamido-3-Phenylpropanoyl]Amino]-2-Phenylsulfanylacetic Acid
[CAS# 108906-59-8]

Identification

• Name: (2S)-2-[[(2S)-2-Acetamido-3-Phenylpropanoyl]Amino]-2-Phenylsulfanylacetic Acid
• Synonyms: (2S)-2-[[(2S)-2-Acetamido-3-Phenyl-Propanoyl]Amino]-2-Phenylsulfanyl-Acetic Acid; (2S)-2-[[(2S)-2-Acetamido-1-Oxo-3-Phenylpropyl]Amino]-2-(Phenylthio)Acetic Acid; (2S)-2-[[(2S)-2-Acetamido-3-Phenyl-Propanoyl]Amino]-2-(Phenylthio)Acetic Acid
• Molecular Formula: C₁₉H₂₀N₂O₄S
• Molecular Weight: 372.44
• CAS Registry Number: 108906-59-8
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC(=O)C)CC1=CC=CC=C1)=O)SC2=CC=CC=C2
• InChI: 1S/C19H20N2O4S/c1-13(22)20-16(12-14-8-4-2-5-9-14)17(23)21-18(19(24)25)26-15-10-6-3-7-11-15/h2-11,16,18H,12H2,1H3,(H,20,22)(H,21,23)(H,24,25)/t16-,18-/m0/s1
• InChIKey: ZIRMREOJJGMRIJ-WMZOPIPTSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 694.805°C at 760 mmHg (Cal.)
• Flash point: 374.005°C (Cal.)