1,3-Bis(3-Phenylpropanoylamino)Propan-2-Yl 2-[[2-(Acetylsulfanylmethyl)-3-Phenylpropanoyl]Amino]Acetate
[CAS# 147879-85-4]

Identification

• Name: 1,3-Bis(3-Phenylpropanoylamino)Propan-2-Yl 2-[[2-(Acetylsulfanylmethyl)-3-Phenylpropanoyl]Amino]Acetate
• Synonyms: [2-(3-Phenylpropanoylamino)-1-[(3-Phenylpropanoylamino)Methyl]Ethyl] 2-[[2-(Acetylsulfanylmethyl)-3-Phenyl-Propanoyl]Amino]Acetate; 2-[[2-[(Acetylthio)Methyl]-1-Oxo-3-Phenylpropyl]Amino]Acetic Acid [2-[(1-Oxo-3-Phenylpropyl)Amino]-1-[[(1-Oxo-3-Phenylpropyl)Amino]Methyl]Ethyl] Ester; 2-[[2-[(Acetylthio)Methyl]-3-Phenyl-Propanoyl]Amino]Acetic Acid [2-(3-Phenylpropanoylamino)-1-[(3-Phenylpropanoylamino)Methyl]Ethyl] Ester
• Molecular Formula: C₃₅H₄₁N₃O₆S
• Molecular Weight: 631.79
• CAS Registry Number: 147879-85-4
• SMILES: C3=C(CC(C(=O)NCC(OC(CNC(=O)CCC1=CC=CC=C1)CNC(=O)CCC2=CC=CC=C2)=O)CSC(=O)C)C=CC=C3
• InChI: 1S/C35H41N3O6S/c1-26(39)45-25-30(21-29-15-9-4-10-16-29)35(43)38-24-34(42)44-31(22-36-32(40)19-17-27-11-5-2-6-12-27)23-37-33(41)20-18-28-13-7-3-8-14-28/h2-16,30-31H,17-25H2,1H3,(H,36,40)(H,37,41)(H,38,43)
• InChIKey: MRSFBDXXTLBMSE-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 904.127°C at 760 mmHg (Cal.)
• Flash point: 500.598°C (Cal.)