B5R5IQ1D64

Base Information

• Chemical Name: B5R5IQ1D64
• CAS No.: 870153-29-0
• Molecular Formula: C₂₄H₃₂N₄O₆
• Molecular Weight: 472.541
• UNII: B5R5IQ1D64
• ChEMBL ID: CHEMBL4777223
• Wikidata: Q106410585

Synonyms:((3S)-3-((2S)-2-((4-methoxy-1H-indol-2-yl)formamido)-4-methylpentanamido)-2-oxo-4-((3S)-2-oxopyrrolidin-3-yl)butoxy)phosphonic acid;(14C)-PF-07304814;14C labeled PF-07304814;14C-PF-07304814;4-methoxy-N-((2S)-4-methyl-1-oxo-1-(((2S)-3-oxo-1-((3S)-2-oxopyrrolidin-3-yl)-4-(phosphonooxy)butan-2-yl)amino)pentan-2-yl)-1H-indole-2-carboxamide;C14-PF-07304814;lufotrelvir;N-((1S)-1-((((1S)-3-hydroxy-2-oxo-1-(((3S)-2-oxopyrrolidin-3-yl)methyl)propyl)amino)carbonyl)-3-methylbutyl)-4-methoxy-1H-indole-2-carboxamide;PF-00835231;PF-07304814;PF-835231

Chemical Property of B5R5IQ1D64

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 472.23218475
• Heavy Atom Count: 34
• Complexity: 760

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)NC(=O)C2=CC3=C(N2)C=CC=C3OC

Technology Process of B5R5IQ1D64

There total 28 articles about B5R5IQ1D64 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: 73.0%

(S)-3-((S)-2-(4-methoxy-1H-indole-2-carboxamido)-4-methylpentanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butyl 2-oxo-2-phenylacetate → PF-00835231 (870153-29-0)

Guidance literature:

With methanol; potassium carbonate; for 1h; Inert atmosphere;

Reference yield: 6.29%

(S)-3-((S)-2-(4-methoxy-1H-indole-2-carboxamido)-4-methylpentanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butyl 2-oxo-2-phenylacetate → PF-00835231 (870153-29-0) + N-[(1R)-1-[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]propyl]carbamoyl]-3-methyl-butyl]-4-methoxy-1H-indole-2-carboxamide (870153-29-0)

Guidance literature:

With methanol; potassium carbonate; at 25 ℃; for 1h;

Reference yield: 6.29%

(S)-3-((S)-2-(4-methoxy-1H-indole-2-carboxamido)-4-methylpentanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butyl 2-oxo-2-phenylacetate → PF-00835231 (870153-29-0) + N-[(1R)-1-[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxopyrrolidin-3-yl]methyl]propyl]carbamoyl]-3-methyl-butyl]-4-methoxy-1H-indole-2-carboxamide (870153-29-0)

Guidance literature:

With methanol; potassium carbonate; at 25 ℃; for 1h;

upstream raw materials:

(2S)-2-(tert-butoxycarbonylamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid

tert-butyl ((1S)-3-diazo-2-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}propyl)carbamate

(2S)-2-(tert-butoxycarbonylamino)-3-[(3'S)-2'-oxo-3'-pyrrolidinyl]propanoic acid methy ester

4-methoxy-1H-indole-2-carboxylic acid

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