2-[[2-(Benzyloxycarbonylamino)-3-(3H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid
[CAS# 17257-63-5]

Identification

• Name: 2-[[2-(Benzyloxycarbonylamino)-3-(3H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid
• Synonyms: 3-(4-Hydroxyphenyl)-2-[[3-(3H-Imidazol-4-Yl)-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Propyl]Amino]Propanoic Acid; 2-[[2-(Benzyloxycarbonylamino)-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid; Nsc333463
• Molecular Formula: C₂₃H₂₄N₄O₆
• Molecular Weight: 452.47
• CAS Registry Number: 17257-63-5
• SMILES: C3=C(CC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)NC(OCC2=CC=CC=C2)=O)[NH]C=N3
• InChI: 1S/C23H24N4O6/c28-18-8-6-15(7-9-18)10-20(22(30)31)26-21(29)19(11-17-12-24-14-25-17)27-23(32)33-13-16-4-2-1-3-5-16/h1-9,12,14,19-20,28H,10-11,13H2,(H,24,25)(H,26,29)(H,27,32)(H,30,31)
• InChIKey: QHPSWBYUIKSQHA-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 874.342°C at 760 mmHg (Cal.)
• Flash point: 482.584°C (Cal.)