N-Carbobenzoxy-L-Phenylalanyl-L-Phenylalanine
[CAS# 13122-91-3]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Phenylalanine derivatives
• Name: N-Carbobenzoxy-L-Phenylalanyl-L-Phenylalanine
• Synonyms: (2S)-2-[[(2S)-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-Phenylpropyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-(Benzyloxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propionic Acid; 3-Phenyl-N-(3-Phenyl-N-((Phenylmethoxy)Carbonyl)-L-Alanyl)-L-Alanine
• Molecular Formula: C₂₆H₂₆N₂O₅
• Molecular Weight: 446.50
• CAS Registry Number: 13122-91-3
• EINECS: 236-051-2
• SMILES: [C@@H](C(=O)O)(CC1=CC=CC=C1)NC([C@H](CC2=CC=CC=C2)NC(OCC3=CC=CC=C3)=O)=O
• InChI: 1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1
• InChIKey: JNRHNGGTJOBXHL-GOTSBHOMSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Melting point: 159°C (Expl.)
• Boiling point: 730.204°C at 760 mmHg (Cal.)
• Flash point: 395.413°C (Cal.)