(2S)-2-[(E)-2-(Benzoylamino)-3-(4-Phenyldiazenylphenyl)Prop-2-Enoyl]Oxy-3-Phenylpropanoic Acid
[CAS# 133658-51-2]

Identification

• Name: (2S)-2-[(E)-2-(Benzoylamino)-3-(4-Phenyldiazenylphenyl)Prop-2-Enoyl]Oxy-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[(E)-2-(Benzoylamino)-3-(4-Phenylazophenyl)Prop-2-Enoyl]Oxy-3-Phenyl-Propanoic Acid; (2S)-2-[(E)-1-Oxo-2-[(Oxo-Phenylmethyl)Amino]-3-(4-Phenylazophenyl)Prop-2-Enoxy]-3-Phenylpropanoic Acid; (2S)-2-[(E)-2-(Benzoylamino)-3-(4-Phenylazophenyl)Acryloyl]Oxy-3-Phenyl-Propionic Acid
• Molecular Formula: C₃₁H₂₅N₃O₅
• Molecular Weight: 519.56
• CAS Registry Number: 133658-51-2
• SMILES: [C@@H](C(=O)O)(CC1=CC=CC=C1)OC(\C(=C/C2=CC=C(C=C2)N=NC3=CC=CC=C3)NC(C4=CC=CC=C4)=O)=O
• InChI: 1S/C31H25N3O5/c35-29(24-12-6-2-7-13-24)32-27(31(38)39-28(30(36)37)21-22-10-4-1-5-11-22)20-23-16-18-26(19-17-23)34-33-25-14-8-3-9-15-25/h1-20,28H,21H2,(H,32,35)(H,36,37)/b27-20+,34-33?/t28-/m0/s1
• InChIKey: SUUBCCOJQFWJFI-UEZAZLIPSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 790.6°C at 760 mmHg (Cal.)
• Flash point: 431.939°C (Cal.)