Phenylmethyl 2-[[(2S)-2-(Acetylsulfanylmethyl)-3-Phenylpropanoyl]Amino]Acetate
[CAS# 112573-73-6]

Identification

• Name: Phenylmethyl 2-[[(2S)-2-(Acetylsulfanylmethyl)-3-Phenylpropanoyl]Amino]Acetate
• Synonyms: Phenylmethyl 2-[[(2S)-2-(Acetylsulfanylmethyl)-3-Phenyl-Propanoyl]Amino]Acetate; 2-[[(2S)-2-[(Acetylthio)Methyl]-1-Oxo-3-Phenylpropyl]Amino]Acetic Acid Phenylmethyl Ester; 2-[[(2S)-2-[(Acetylthio)Methyl]-3-Phenyl-Propanoyl]Amino]Acetic Acid Benzyl Ester
• Molecular Formula: C₂₁H₂₃NO₄S
• Molecular Weight: 385.48
• CAS Registry Number: 112573-73-6
• SMILES: [C@H](CC1=CC=CC=C1)(C(NCC(OCC2=CC=CC=C2)=O)=O)CSC(C)=O
• InChI: 1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m1/s1
• InChIKey: ODUOJXZPIYUATO-LJQANCHMSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 574.502°C at 760 mmHg (Cal.)
• Flash point: 301.248°C (Cal.)