Methyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinyltyrosinate

Base Information

• Chemical Name: Methyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinyltyrosinate
• CAS No.: 19519-00-7
• Molecular Formula: C28H30N2O6S
• Molecular Weight: 522.6126
• NSC Number: 164108
• DSSTox Substance ID: DTXSID40304079
• Mol file: 19519-00-7.mol

Synonyms:19519-00-7;NSC164108;DTXSID40304079;Methyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinyltyrosinate;ZINC05023367;AKOS024432416;NSC-164108;CARBOBENZYLOXY-S-BENZYL-L-CYSTEINYL-L-TYROSINE METHYL ESTER

Chemical Property of Methyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinyltyrosinate

Chemical Property:

• Vapor Pressure: 6.92E-24mmHg at 25°C
• Boiling Point: 759.6°C at 760 mmHg
• Flash Point: 413.2°C
• Density: 1.272g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 522.18245785
• Heavy Atom Count: 37
• Complexity: 703

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Technology Process of Methyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinyltyrosinate

There total 7 articles about Methyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinyltyrosinate 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:

benzyloxycarbonyl-S-benzylcysteine (3257-18-9) + L-Tyr-OMe (1080-06-4) → N-(S-benzyl-N-benzyloxycarbonyl-L-cysteinyl)-L-tyrosine methyl ester (19519-00-7)

Guidance literature:

With hypophosphoric acid tetraethyl ester; phosphonic acid diethyl ester;

DOI:10.1002/hlca.19550380622

Reference yield:

S-benzyl-N-carbobenzoxy-L-cysteine p-nitrophenyl ester (3401-37-4) + L-Tyr-OMe (1080-06-4) → N-(S-benzyl-N-benzyloxycarbonyl-L-cysteinyl)-L-tyrosine methyl ester (19519-00-7)

Guidance literature:

With N,N-dimethyl-formamide;

DOI:10.1021/ja01519a053 DOI:10.1021/jo01056a517

Reference yield:

L-Tyr-OMe (1080-06-4) + S-benzyl-N-benzyloxycarbonyl-L-cysteine cyanomethyl ester (32990-89-9) → N-(S-benzyl-N-benzyloxycarbonyl-L-cysteinyl)-L-tyrosine methyl ester (19519-00-7)

Guidance literature:

With acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/ja01519a053

upstream raw materials:

benzyloxycarbonyl-S-benzylcysteine

L-Tyr-OMe

S-benzyl-N-carbobenzoxy-L-cysteine p-nitrophenyl ester

S-benzyl-N-benzyloxycarbonyl-L-cysteine cyanomethyl ester

Downstream raw materials:

S-benzyl-N-[(benzyloxy)carbonyl]cysteinyltyrosine

N-(S-benzyl-N-benzyloxycarbonyl-L-cysteinyl)-L-tyrosine amide

H-Cys-Tyr-NH₂

N-(S-benzyl-L-cysteinyl)-L-tyrosine amide