(2S)-2-[(E)-3-(4-Aminophenyl)-2-(Benzoylamino)Prop-2-Enoyl]Oxy-3-Phenylpropanoic Acid
[CAS# 133658-50-1]

Identification

• Name: (2S)-2-[(E)-3-(4-Aminophenyl)-2-(Benzoylamino)Prop-2-Enoyl]Oxy-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[(E)-3-(4-Aminophenyl)-2-(Benzoylamino)Prop-2-Enoyl]Oxy-3-Phenyl-Propanoic Acid; (2S)-2-[(E)-3-(4-Aminophenyl)-1-Oxo-2-[(Oxo-Phenylmethyl)Amino]Prop-2-Enoxy]-3-Phenylpropanoic Acid; (2S)-2-[(E)-3-(4-Aminophenyl)-2-(Benzoylamino)Acryloyl]Oxy-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₅H₂₂N₂O₅
• Molecular Weight: 430.46
• CAS Registry Number: 133658-50-1
• SMILES: [C@@H](C(=O)O)(CC1=CC=CC=C1)OC(\C(=C/C2=CC=C(C=C2)N)NC(C3=CC=CC=C3)=O)=O
• InChI: 1S/C25H22N2O5/c26-20-13-11-18(12-14-20)15-21(27-23(28)19-9-5-2-6-10-19)25(31)32-22(24(29)30)16-17-7-3-1-4-8-17/h1-15,22H,16,26H2,(H,27,28)(H,29,30)/b21-15+/t22-/m0/s1
• InChIKey: ZIDRLGDJUQGOOT-VAZXNAHHSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 743.334°C at 760 mmHg (Cal.)
• Flash point: 403.354°C (Cal.)