Tert-Butyl 2-Methyl-2-[[(2S)-4-Methyl-2-[[2-Methyl-2-[[2-[[2-Methyl-2-(Phenylmethoxycarbonylamino)Propanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]Pentanoyl]Amino]Propanoate
[CAS# 136687-69-9]

Identification

• Name: Tert-Butyl 2-Methyl-2-[[(2S)-4-Methyl-2-[[2-Methyl-2-[[2-[[2-Methyl-2-(Phenylmethoxycarbonylamino)Propanoyl]Amino]Acetyl]Amino]Propanoyl]Amino]Pentanoyl]Amino]Propanoate
• Synonyms: 2-Methyl-2-[[(2S)-4-Methyl-2-[[2-Methyl-2-[[2-[[2-Methyl-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Propyl]Amino]-1-Oxoethyl]Amino]-1-Oxopropyl]Amino]-1-Oxopentyl]Amino]Propanoic Acid Tert-Butyl Ester; 2-[[(2S)-2-[[2-[[2-[[2-(Benzyloxycarbonylamino)-2-Methyl-Propanoyl]Amino]Acetyl]Amino]-2-Methyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-2-Methyl-Propionic Acid Tert-Butyl Ester; Tert-Butyl 2-Methyl-2-[[(2S)-4-Methyl-2-[[2-Methyl-2-[2-[[2-Methyl-2-(Phenylmethoxycarbonylamino)Propanoyl]Amino]Ethanoylamino]Propanoyl]Amino]Pentanoyl]Amino]Propanoate
• Molecular Formula: C₃₂H₅₁N₅O₈
• Molecular Weight: 633.78
• CAS Registry Number: 136687-69-9
• SMILES: [C@H](C(NC(C(=O)OC(C)(C)C)(C)C)=O)(NC(C(NC(CNC(C(NC(=O)OCC1=CC=CC=C1)(C)C)=O)=O)(C)C)=O)CC(C)C
• InChI: 1S/C32H51N5O8/c1-20(2)17-22(24(39)36-32(10,11)27(42)45-29(3,4)5)34-26(41)31(8,9)35-23(38)18-33-25(40)30(6,7)37-28(43)44-19-21-15-13-12-14-16-21/h12-16,20,22H,17-19H2,1-11H3,(H,33,40)(H,34,41)(H,35,38)(H,36,39)(H,37,43)/t22-/m0/s1
• InChIKey: GMEVJCGNEJSXAC-QFIPXVFZSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 863.282°C at 760 mmHg (Cal.)
• Flash point: 475.896°C (Cal.)