Pentanoic acid, 3-(((2S)-2-(((1,3-dimethyl-1H-indol-2-yl)carbonyl)amino)-3-methyl-1-oxobutyl)amino)-5-fluoro-4-oxo-

Base Information

• Chemical Name: Pentanoic acid, 3-(((2S)-2-(((1,3-dimethyl-1H-indol-2-yl)carbonyl)amino)-3-methyl-1-oxobutyl)amino)-5-fluoro-4-oxo-
• CAS No.: 204919-14-2
• Molecular Formula: C21H26FN3O5
• Molecular Weight: 419.44700
• UNII: 36T9573OR5
• Nikkaji Number: J1.241.590G
• Wikidata: Q27256594
• ChEMBL ID: CHEMBL198068
• Mol file: 204919-14-2.mol

Synonyms:IDN 1965;IDN-1965;IDN1965;N-((1,3-dimethylindole-2-carbonyl)-valinyl)-3-amino-4-oxo-5-fluoropentanoic acid

Chemical Property of Pentanoic acid, 3-(((2S)-2-(((1,3-dimethyl-1H-indol-2-yl)carbonyl)amino)-3-methyl-1-oxobutyl)amino)-5-fluoro-4-oxo-

Chemical Property:

• PSA: 124.48000
• LogP: 3.15430
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 419.18564910
• Heavy Atom Count: 30
• Complexity: 671

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N(C2=CC=CC=C12)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)CF
• Isomeric SMILES: CC1=C(N(C2=CC=CC=C12)C)C(=O)N[C@@H](C(C)C)C(=O)NC(CC(=O)O)C(=O)CF

Technology Process of Pentanoic acid, 3-(((2S)-2-(((1,3-dimethyl-1H-indol-2-yl)carbonyl)amino)-3-methyl-1-oxobutyl)amino)-5-fluoro-4-oxo-

There total 1 articles about Pentanoic acid, 3-(((2S)-2-(((1,3-dimethyl-1H-indol-2-yl)carbonyl)amino)-3-methyl-1-oxobutyl)amino)-5-fluoro-4-oxo- 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:

N-[(1,3-dimethylindole-2-carbonyl)valinyl]-3-amino-4-oxo-5-fluoropentanoic acid, t-butyl ester (204919-13-1) → IDN-1965 (204919-14-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; methoxybenzene;

upstream raw materials:

N-[(1,3-dimethylindole-2-carbonyl)valinyl]-3-amino-4-oxo-5-fluoropentanoic acid, t-butyl ester