(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfinylbutanoic acid

Base Information

• Chemical Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfinylbutanoic acid
• CAS No.: 60283-51-4
• Molecular Formula: C27H35 N5 O8 S
• Molecular Weight: 589.67
• DSSTox Substance ID: DTXSID90975697
• Nikkaji Number: J491.378G
• Mol file: 60283-51-4.mol

Synonyms:enkephalin-Met, sulfoxide-;Met-enkephalin sulfoxide;methionine enkephalin sulfoxide;oxidized methionine enkephalin

Chemical Property of (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfinylbutanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1131.6°C at 760 mmHg
• PKA: 3.15±0.10(Predicted)
• Flash Point: 638.2°C
• PSA: 236.23000
• Density: 1.375g/cm³
• LogP: 1.68950
• Storage Temp.: -15°C
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 589.22063427
• Heavy Atom Count: 41
• Complexity: 921

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)CCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N
• Isomeric SMILES: CS(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

Technology Process of (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfinylbutanoic acid

There total 3 articles about (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfinylbutanoic acid 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:

met-enkephalin (58569-55-4) → methionine-enkephalin sulfoxide (60283-51-4)

Guidance literature:

With sodium periodate; In water;

DOI:10.1002/cbic.201900463

Reference yield:

met-enkephalin (58569-55-4) → methionine-enkephalin sulfoxide (60283-51-4) + C27H35N5O8S + C27H35N5O8S + C27H35N5O8S

Guidance literature:

With iron(III) chloride hexahydrate; sodium citrate; glycine; pH=6; Reagent/catalyst; UV-irradiation;

DOI:10.1007/s11095-021-03042-8

Reference yield:

→ methionine-enkephalin sulfoxide (60283-51-4)

Guidance literature:

Yield given; Multistep reaction;

DOI:10.1016/S0040-4020(98)00954-5

upstream raw materials:

met-enkephalin

Downstream raw materials:

met-enkephalin