Acetyl-Dehydrophenylalanyl-Valyl-N-Methyldehydrophenylalaninamide
[CAS# 139424-39-8]

Identification

• Name: Acetyl-Dehydrophenylalanyl-Valyl-N-Methyldehydrophenylalaninamide
• Synonyms: 2-[[(E)-2-Acetamido-3-Phenyl-Prop-2-Enoyl]Amino]-3-Methyl-N-[(E)-1-(Methylcarbamoyl)-2-Phenyl-Vinyl]Butanamide; 2-[[(E)-2-Acetamido-1-Oxo-3-Phenylprop-2-Enyl]Amino]-3-Methyl-N-[(E)-1-(Methylcarbamoyl)-2-Phenylvinyl]Butanamide; 2-[[(E)-2-Acetamido-3-Phenyl-Acryloyl]Amino]-3-Methyl-N-[(E)-1-(Methylcarbamoyl)-2-Phenyl-Vinyl]Butyramide
• Molecular Formula: C₂₆H₃₀N₄O₄
• Molecular Weight: 462.55
• CAS Registry Number: 139424-39-8
• SMILES: C2=C(\C=C(NC(=O)C)/C(=O)NC(C(=O)NC(/C(=O)NC)=C/C1=CC=CC=C1)C(C)C)C=CC=C2
• InChI: 1S/C26H30N4O4/c1-17(2)23(26(34)29-21(24(32)27-4)15-19-11-7-5-8-12-19)30-25(33)22(28-18(3)31)16-20-13-9-6-10-14-20/h5-17,23H,1-4H3,(H,27,32)(H,28,31)(H,29,34)(H,30,33)/b21-15+,22-16+
• InChIKey: ZRJUEYNHTGLKET-YHARCJFQSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 853.004°C at 760 mmHg (Cal.)
• Flash point: 266.388°C (Cal.)