N-[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanediamide

Base Information

• Chemical Name: N-[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanediamide
• CAS No.: 56104-22-4
• Molecular Formula: C₄₁H₅₇N₉O₉S
• Molecular Weight: 852.024
• DSSTox Substance ID: DTXSID70402254
• Mol file: 56104-22-4.mol

Synonyms:56104-22-4;N-[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanediamide;PYR-GLN-PHE-PHE-GLY-LEU-MET-NH2;AC1N8WCV;DTXSID70402254;FT-0773520

Chemical Property of N-[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanediamide

Chemical Property:

• PSA: 315.18000
• LogP: 2.91540
• Storage Temp.: −20°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 25
• Exact Mass: 851.39999560
• Heavy Atom Count: 60
• Complexity: 1500

Purity/Quality:

98% ^*data from raw suppliers

[PGLU5]-SUBSTANCEP FRAGMENT5-11 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C3CCC(=O)N3

Technology Process of N-[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanediamide

There total 9 articles about N-[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanediamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%

Z-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 (109003-57-8) → pGlu-Gln-Phe-Phe-Gly-Leu-Met.NH2 (56104-22-4) + Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2*HCOOH

Guidance literature:

With formic acid; palladium; for 1h;

Reference yield: 72.0%

formic acid (64-18-6) + Z-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2 (109003-57-8) → pGlu-Gln-Phe-Phe-Gly-Leu-Met.NH2 (56104-22-4) + Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2*HCOOH

Guidance literature:

With water; palladium; for 1h;

Reference yield:

Cbz-L-Gln (2650-64-8) → pGlu-Gln-Phe-Phe-Gly-Leu-Met.NH2 (56104-22-4)

Guidance literature:

Multi-step reaction with 5 steps

1: Et₃N / tetrahydrofuran

2: dimethylformamide; tetrahydrofuran / 10 h / -15 - 20 °C

3: Pd, H₂O / 1 h

4: 86 percent / Et₃N, 1-hydroxybenzotriazole (HOBt) / dimethylformamide / 24 h / Ambient temperature

5: Pd, H₂O / 1 h

With water; benzotriazol-1-ol; palladium; triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide;

upstream raw materials:

formic acid

Z-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH₂

Cbz-L-Gln

H-Phe-Phe-Gly-Leu-Met-NH₂