N-[(1,1-Dimethylethoxy)Carbonyl]-L-Phenylalanyl-D-Leucyl-L-Phenylalanyl-D-Leucyl-L-Phenylalanine
[CAS# 66556-73-8]

Identification

• Name: N-[(1,1-Dimethylethoxy)Carbonyl]-L-Phenylalanyl-D-Leucyl-L-Phenylalanyl-D-Leucyl-L-Phenylalanine
• Synonyms: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₄₄H₅₉N₅O₈
• Molecular Weight: 785.98
• CAS Registry Number: 66556-73-8
• SMILES: [C@H](CC(C)C)(NC([C@@H](NC([C@@H](CC(C)C)NC([C@H](CC1=CC=CC=C1)NC(OC(C)(C)C)=O)=O)=O)CC2=CC=CC=C2)=O)C(=O)N[C@H](C(O)=O)CC3=CC=CC=C3
• InChI: 1S/C44H59N5O8/c1-28(2)23-33(46-41(53)36(26-31-19-13-9-14-20-31)49-43(56)57-44(5,6)7)38(50)47-35(25-30-17-11-8-12-18-30)40(52)45-34(24-29(3)4)39(51)48-37(42(54)55)27-32-21-15-10-16-22-32/h8-22,28-29,33-37H,23-27H2,1-7H3,(H,45,52)(H,46,53)(H,47,50)(H,48,51)(H,49,56)(H,54,55)/t33-,34-,35+,36+,37+/m1/s1
• InChIKey: NGNZQSPFQJCBJQ-DWCHZDDLSA-N
• Protein Sequence: Boc-Phe-D-Leu-Phe-D-Leu-Phe-OH

Properties

• Desity: 1.168g/cm³ (Cal.)
• Boiling point: 1043.233°C at 760 mmHg (Cal.)
• Flash point: 584.726°C (Cal.)