Methyl 2-[[2-[[(E)-2-Acetamido-3-Phenylprop-2-Enoyl]Amino]-3-Methylbutanoyl]Amino]-3-Methylbutanoate
[CAS# 136767-21-0]

Identification

• Name: Methyl 2-[[2-[[(E)-2-Acetamido-3-Phenylprop-2-Enoyl]Amino]-3-Methylbutanoyl]Amino]-3-Methylbutanoate
• Synonyms: Methyl 2-[[2-[[(E)-2-Acetamido-3-Phenyl-Prop-2-Enoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoate; 2-[[2-[[(E)-2-Acetamido-1-Oxo-3-Phenylprop-2-Enyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Methylbutanoic Acid Methyl Ester; 2-[[2-[[(E)-2-Acetamido-3-Phenyl-Acryloyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Methyl-Butyric Acid Methyl Ester
• Molecular Formula: C₂₂H₃₁N₃O₅
• Molecular Weight: 417.50
• CAS Registry Number: 136767-21-0
• SMILES: C1=C(\C=C(NC(=O)C)/C(NC(C(NC(C(C)C)C(OC)=O)=O)C(C)C)=O)C=CC=C1
• InChI: 1S/C22H31N3O5/c1-13(2)18(21(28)25-19(14(3)4)22(29)30-6)24-20(27)17(23-15(5)26)12-16-10-8-7-9-11-16/h7-14,18-19H,1-6H3,(H,23,26)(H,24,27)(H,25,28)/b17-12+
• InChIKey: IZHAAPCMGPZGHM-SFQUDFHCSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 683.138°C at 760 mmHg (Cal.)
• Flash point: 366.949°C (Cal.)