(2S)-2-[[(2S,3R)-2-(Benzoylsulfanylmethyl)-3-Phenylbutanoyl]Amino]Propanoic Acid
[CAS# 156039-69-9]

Identification

• Name: (2S)-2-[[(2S,3R)-2-(Benzoylsulfanylmethyl)-3-Phenylbutanoyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(2S,3R)-2-(Benzoylsulfanylmethyl)-3-Phenyl-Butanoyl]Amino]Propanoic Acid; (2S)-2-[[(2S,3R)-1-Oxo-2-[[(Oxo-Phenylmethyl)Thio]Methyl]-3-Phenylbutyl]Amino]Propanoic Acid; (2S)-2-[[(2S,3R)-2-[(Benzoylthio)Methyl]-3-Phenyl-Butanoyl]Amino]Propionic Acid
• Molecular Formula: C₂₁H₂₃NO₄S
• Molecular Weight: 385.48
• CAS Registry Number: 156039-69-9
• SMILES: [C@H]([C@H](C1=CC=CC=C1)C)(C(=O)N[C@H](C(=O)O)C)CSC(=O)C2=CC=CC=C2
• InChI: 1S/C21H23NO4S/c1-14(16-9-5-3-6-10-16)18(19(23)22-15(2)20(24)25)13-27-21(26)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,15-,18-/m0/s1
• InChIKey: GKYIONYOYVKKQI-MPGHIAIKSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 612.831°C at 760 mmHg (Cal.)
• Flash point: 324.429°C (Cal.)