Lophyrotomin

Base Information

• Chemical Name: Lophyrotomin
• CAS No.: 85932-85-0
• Deprecated CAS: 63600-79-3
• Molecular Formula: C48H65N9O17
• Molecular Weight: 1040.09
• Nikkaji Number: J147.588F
• Wikidata: Q104251138
• Mol file: 85932-85-0.mol

Synonyms:C6H5-CO-Ala-Phe-Val-Ile-Asp-Asp-Glu-Gln;lophyrotomin

Chemical Property of Lophyrotomin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1542°Cat760mmHg
• Flash Point: 886.4°C
• PSA: 425.09000
• Density: 1.339g/cm³
• LogP: 2.13510
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 32
• Exact Mass: 1039.44984164
• Heavy Atom Count: 74
• Complexity: 2020

Purity/Quality:

LOPHYROTOMIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C2=CC=CC=C2
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](C)NC(=O)C2=CC=CC=C2

Technology Process of Lophyrotomin

There total 1 articles about Lophyrotomin 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:

(2R)-aspartic acid (1783-96-6,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + L-glutamine (56-85-9,26700-71-0) + D-Glutamic acid (6893-26-1,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → lophyrotomin (85932-85-0,63600-79-3)

Guidance literature:

Multistep reaction;

DOI:10.1039/C39940000445

Reference yield:

methanol (67-56-1) + lophyrotomin (85932-85-0,63600-79-3) → methyl N-benzoylalaninate (7244-67-9,38767-73-6)

Guidance literature:

With hydrogenchloride; for 240h; Ambient temperature;

Reference yield:

methanol (67-56-1) + lophyrotomin (85932-85-0,63600-79-3) → methyl N-benzoylalaninate (7244-67-9,38767-73-6) + 4-Imino-butyric acid methyl ester; hydrochloride

Guidance literature:

With hydrogenchloride; for 240h; Ambient temperature;

upstream raw materials:

(2R)-aspartic acid

L-Aspartic acid

L-glutamine

D-Glutamic acid

Downstream raw materials:

methyl N-benzoylalaninate

(R)-2-{[(S)-1-(2,2,2-Trifluoro-acetyl)-pyrrolidine-2-carbonyl]-amino}-propionic acid methyl ester

(S)-3-Methyl-2-{[(S)-1-(2,2,2-trifluoro-acetyl)-pyrrolidine-2-carbonyl]-amino}-butyric acid methyl ester

(2S,3S)-3-Methyl-2-{[(S)-1-(2,2,2-trifluoro-acetyl)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid methyl ester

Refernces