Acetyl Dehydrophenylalanyl-Alanyl-N-Methyldehydrophenylalaninamide
[CAS# 137348-25-5]

Identification

• Name: Acetyl Dehydrophenylalanyl-Alanyl-N-Methyldehydrophenylalaninamide
• Synonyms: (E)-3-[2-[[(E)-2-Acetamido-3-Phenyl-Prop-2-Enoyl]Amino]Propanoylamino]-N-Methyl-3-Phenyl-Prop-2-Enamide; (E)-3-[[2-[[(E)-2-Acetamido-1-Oxo-3-Phenylprop-2-Enyl]Amino]-1-Oxopropyl]Amino]-N-Methyl-3-Phenylprop-2-Enamide; (E)-3-[2-[[(E)-2-Acetamido-3-Phenyl-Acryloyl]Amino]Propanoylamino]-N-Methyl-3-Phenyl-Acrylamide
• Molecular Formula: C₂₄H₂₆N₄O₄
• Molecular Weight: 434.49
• CAS Registry Number: 137348-25-5
• SMILES: C2=C(\C(NC(=O)C(NC(=O)\C(NC(=O)C)=C/C1=CC=CC=C1)C)=C/C(=O)NC)C=CC=C2
• InChI: 1S/C24H26N4O4/c1-16(23(31)28-20(15-22(30)25-3)19-12-8-5-9-13-19)26-24(32)21(27-17(2)29)14-18-10-6-4-7-11-18/h4-16H,1-3H3,(H,25,30)(H,26,32)(H,27,29)(H,28,31)/b20-15+,21-14+
• InChIKey: IANQSWMITRSNOF-KFYWUQIFSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 844.495°C at 760 mmHg (Cal.)
• Flash point: 278.29°C (Cal.)