Methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate

Base Information

• Chemical Name: Methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate
• CAS No.: 24692-77-1
• Molecular Formula: C₂₂H₂₆N₂O₅S
• Molecular Weight: 430.525
• European Community (EC) Number: 667-983-1
• NSC Number: 164067
• DSSTox Substance ID: DTXSID20304052
• Mol file: 24692-77-1.mol

Synonyms:24692-77-1;NSC164067;DTXSID20304052;AKOS024432393;NSC-164067;methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate;methyl (2R)-2-[((2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-3-(benzylthio)propanoate

Chemical Property of Methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate

Chemical Property:

• Vapor Pressure: 1.94E-16mmHg at 25°C
• Boiling Point: 643.2°C at 760 mmHg
• Flash Point: 342.8°C
• Density: 1.224g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 430.15624311
• Heavy Atom Count: 30
• Complexity: 548

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Technology Process of Methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate

There total 2 articles about Methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate 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-benzylcysteine methyl ester (22728-88-7) + (S)-2-Benzyloxycarbonylamino-propionic acid phenoxathiin-1-yl ester (118143-72-9) → 1-Hydroxyphenoxathiin (135958-49-5) + Z-L-Ala-L-Cys(Bzl)-OMe (24692-77-1)

Guidance literature:

In dimethyl sulfoxide; at 23 ℃; Rate constant;

DOI:10.1016/0040-4039(91)80674-U

Reference yield:

S-benzylcysteine methyl ester (22728-88-7) + (S)-2-Benzyloxycarbonylamino-propionic acid 10-oxo-10H-10λ4-phenoxathiin-1-yl ester (135958-55-3,135958-56-4) → 1-Hydroxyphenoxathiin 10-oxide (135958-50-8) + Z-L-Ala-L-Cys(Bzl)-OMe (24692-77-1)

Guidance literature:

In dimethyl sulfoxide; at 23 ℃; Rate constant;

DOI:10.1016/0040-4039(91)80674-U

upstream raw materials:

S-benzylcysteine methyl ester

(S)-2-Benzyloxycarbonylamino-propionic acid phenoxathiin-1-yl ester

(S)-2-Benzyloxycarbonylamino-propionic acid 10-oxo-10H-10λ⁴-phenoxathiin-1-yl ester

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