N-{2-[(Benzoylsulfanyl)methyl]-3-phenylpropanoyl}-S-ethyl-L-cysteine

Base Information

Chemical Name:N-{2-[(Benzoylsulfanyl)methyl]-3-phenylpropanoyl}-S-ethyl-L-cysteine
CAS No.:88389-24-6
Molecular Formula:C22H25NO4S2
Molecular Weight:431.577
Hs Code.:
DSSTox Substance ID:DTXSID80532314

Synonyms:88389-24-6;DTXSID80532314;N-{2-[(Benzoylsulfanyl)methyl]-3-phenylpropanoyl}-S-ethyl-L-cysteine

Suppliers and Price of N-{2-[(Benzoylsulfanyl)methyl]-3-phenylpropanoyl}-S-ethyl-L-cysteine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of N-{2-[(Benzoylsulfanyl)methyl]-3-phenylpropanoyl}-S-ethyl-L-cysteine

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:431.12250063
Heavy Atom Count:29
Complexity:531

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2
Isomeric SMILES:CCSC[C@@H](C(=O)O)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2

Technology Process of N-{2-[(Benzoylsulfanyl)methyl]-3-phenylpropanoyl}-S-ethyl-L-cysteine

There total 2 articles about N-{2-[(Benzoylsulfanyl)methyl]-3-phenylpropanoyl}-S-ethyl-L-cysteine 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: 81.0%

: 2629-59-6
S-ethyl-L-cysteine

: 111510-49-7
3-(benzoylthio)-2-benzylpropanoyl chloride

: 88389-24-6
N-<3-(benzoylthio)-2-benzylpropanoyl>-S-ethyl-L-cysteine

Guidance literature:: With sodium hydroxide; In acetone; Ambient temperature;
DOI:10.1248/cpb.35.2382

Reference yield:

: 81110-58-9
2-[(benzoylthio)methyl]-3-phenylpropanoic acid

: 88389-24-6
N-<3-(benzoylthio)-2-benzylpropanoyl>-S-ethyl-L-cysteine

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 2 h / 30 - 40 °C

2: 81 percent / 1N NaOH / acetone / Ambient temperature

With sodium hydroxide; thionyl chloride; In acetone;
DOI:10.1248/cpb.35.2382