N-[(Phenylmethoxy)Carbonyl]Glycylglycyl-L-Phenylalanine
[CAS# 13171-93-2]

Identification

• Name: N-[(Phenylmethoxy)Carbonyl]Glycylglycyl-L-Phenylalanine
• Synonyms: 2-[[1-Oxo-2-[[1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Ethyl]Amino]Ethyl]Amino]-3-Phenylpropanoic Acid; 2-[[2-[[2-(Benzyloxycarbonylamino)Acetyl]Amino]Acetyl]Amino]-3-Phenyl-Propionic Acid; 3-Phenyl-2-[2-[2-(Phenylmethoxycarbonylamino)Ethanoylamino]Ethanoylamino]Propanoic Acid
• Molecular Formula: C₂₁H₂₃N₃O₆
• Molecular Weight: 413.43
• CAS Registry Number: 13171-93-2
• SMILES: C2=C(CC(NC(CNC(CNC(OCC1=CC=CC=C1)=O)=O)=O)C(O)=O)C=CC=C2
• InChI: 1S/C21H23N3O6/c25-18(12-23-21(29)30-14-16-9-5-2-6-10-16)22-13-19(26)24-17(20(27)28)11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,25)(H,23,29)(H,24,26)(H,27,28)
• InChIKey: PARPWSYTROKYNG-UHFFFAOYSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 771.191°C at 760 mmHg (Cal.)
• Flash point: 420.201°C (Cal.)