N-[(1,1-Dimethylethoxy)Carbonyl]-L-Methionyl-L-Leucyl-L-Phenylalanine
[CAS# 67247-12-5]

Identification

• Name: N-[(1,1-Dimethylethoxy)Carbonyl]-L-Methionyl-L-Leucyl-L-Phenylalanine
• Synonyms: (2S)-2-[[(2R)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-4-Methylsulfanyl-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2R)-2-[[(2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2R)-2-[[(2S)-2-(Tert-Butoxycarbonylamino)-4-(Methylthio)Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₅H₃₉N₃O₆S
• Molecular Weight: 509.66
• CAS Registry Number: 67247-12-5
• SMILES: [C@H](CCSC)(C(N[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)C(CC)C)=O)NC(OC(C)(C)C)=O
• InChI: 1S/C25H39N3O6S/c1-7-16(2)20(22(30)26-19(23(31)32)15-17-11-9-8-10-12-17)28-21(29)18(13-14-35-6)27-24(33)34-25(3,4)5/h8-12,16,18-20H,7,13-15H2,1-6H3,(H,26,30)(H,27,33)(H,28,29)(H,31,32)/t16?,18-,19-,20+/m0/s1
• InChIKey: XOBRUPBUBNAFDI-BRLUZMBRSA-N
• Protein Sequence: Boc-Met-Leu-Phe-OH

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 761.347°C at 760 mmHg (Cal.)
• Flash point: 414.248°C (Cal.)