(4S)-5-anilino-4-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid

Base Information

Chemical Name:(4S)-5-anilino-4-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CAS No.:126349-24-4
Molecular Formula:C₂₁H₂₄N₂O₄S
Molecular Weight:400.499
Hs Code.:
DSSTox Substance ID:DTXSID001116874
Nikkaji Number:J1.448.803K

Synonyms:DTXSID001116874;126349-24-4;(4S)-4-[[(2S)-2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-5-oxo-5-(phenylamino)pentanoic acid

Suppliers and Price of (4S)-5-anilino-4-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid

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
Packaging
price

Total 0 raw suppliers

Chemical Property of (4S)-5-anilino-4-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:400.14567842
Heavy Atom Count:28
Complexity:517

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC(CS)C(=O)NC(CCC(=O)O)C(=O)NC2=CC=CC=C2
Isomeric SMILES:C1=CC=C(C=C1)C[C@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NC2=CC=CC=C2

Technology Process of (4S)-5-anilino-4-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid

There total 3 articles about (4S)-5-anilino-4-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-5-oxopentanoic 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:

: (S)-4-((S)-2-Benzoylsulfanylmethyl-3-phenyl-propionylamino)-4-phenylcarbamoyl-butyric acid benzyl ester

: 126349-24-4
(4S)-4-(2(S)-benzyl-3-mercaptopropionylamino)-4-(N-phenylcarbamoyl)-butyric acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; 1,2-dimethoxyethane; water; at 25 ℃; for 0.5h;
DOI:10.1016/S0968-0896(97)10048-7

Reference yield:

: 83024-49-1
(2S)-3-phenylcarbonylthio-2-phenylmethylpropionic acid

: 126349-24-4
(4S)-4-(2(S)-benzyl-3-mercaptopropionylamino)-4-(N-phenylcarbamoyl)-butyric acid

Guidance literature:: Multi-step reaction with 3 steps

1: (COCl)2 / CH₂Cl₂ / 1 h / 5 - 25 °C

2: Py / CH₂Cl₂ / 5 - 25 °C

3: LiOH*H₂O / 1,2-dimethoxy-ethane; tetrahydrofuran; H₂O / 0.5 h / 25 °C

With pyridine; lithium hydroxide; oxalyl dichloride; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane; water;
DOI:10.1016/S0968-0896(97)10048-7

Reference yield:

: Thiobenzoic acid S-((R)-2-chlorocarbonyl-3-phenyl-propyl) ester

: 126349-24-4
(4S)-4-(2(S)-benzyl-3-mercaptopropionylamino)-4-(N-phenylcarbamoyl)-butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: Py / CH₂Cl₂ / 5 - 25 °C

2: LiOH*H₂O / 1,2-dimethoxy-ethane; tetrahydrofuran; H₂O / 0.5 h / 25 °C

With pyridine; lithium hydroxide; In tetrahydrofuran; 1,2-dimethoxyethane; dichloromethane; water;
DOI:10.1016/S0968-0896(97)10048-7