4-((2-(Benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid
[CAS# 37106-97-1]

Identification

• Name: 4-((2-(Benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic acid
• Synonyms: 4-[[3-(4-Hydroxyphenyl)-1-Oxo-2-[(Oxo-Phenylmethyl)Amino]Propyl]Amino]Benzoic Acid; 4-[[3-(4-Hydroxyphenyl)-2-(Phenylcarbonylamino)Propanoyl]Amino]Benzoic Acid; Bentiromide (Jan/Usan)
• Molecular Formula: C₂₃H₂₀N₂O₅
• Molecular Weight: 404.42
• CAS Registry Number: 37106-97-1
• EINECS: 253-349-8
• SMILES: C1=CC(=CC=C1CC(NC(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)O
• InChI: 1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)
• InChIKey: SPPTWHFVYKCNNK-UHFFFAOYSA-N
• Protein Sequence: Bz-Tyr-4-Abz-OH

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 797.086°C at 760 mmHg (Cal.)
• Flash point: 435.862°C (Cal.)