Phenylmethyl 2-[[(2S)-2-(Acetylsulfanylmethyl)-3-(1,3-Benzodioxol-5-Yl)Propanoyl]Amino]Acetate
[CAS# 135038-56-1]

Identification

• Name: Phenylmethyl 2-[[(2S)-2-(Acetylsulfanylmethyl)-3-(1,3-Benzodioxol-5-Yl)Propanoyl]Amino]Acetate
• Synonyms: 2-[[(2S)-2-[(Acetylthio)Methyl]-3-(1,3-Benzodioxol-5-Yl)-1-Oxopropyl]Amino]Acetic Acid Phenylmethyl Ester; 2-[[(2S)-2-[(Acetylthio)Methyl]-3-(1,3-Benzodioxol-5-Yl)Propanoyl]Amino]Acetic Acid Benzyl Ester; Phenylmethyl 2-[[(2S)-2-(1,3-Benzodioxol-5-Ylmethyl)-3-Ethanoylsulfanyl-Propanoyl]Amino]Ethanoate
• Molecular Formula: C₂₂H₂₃NO₆S
• Molecular Weight: 429.49
• CAS Registry Number: 135038-56-1
• SMILES: [C@H](C(NCC(=O)OCC1=CC=CC=C1)=O)(CSC(=O)C)CC3=CC=C2OCOC2=C3
• InChI: 1S/C22H23NO6S/c1-15(24)30-13-18(9-17-7-8-19-20(10-17)29-14-28-19)22(26)23-11-21(25)27-12-16-5-3-2-4-6-16/h2-8,10,18H,9,11-14H2,1H3,(H,23,26)/t18-/m1/s1
• InChIKey: IVBOFTGCTWVBLF-GOSISDBHSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 623.145°C at 760 mmHg (Cal.)
• Flash point: 330.666°C (Cal.)