2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

Base Information

• Chemical Name: 2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid
• CAS No.: 24425-56-7
• Molecular Formula: C₁₆H₂₉N₃O₆S
• Molecular Weight: 391.489
• Hs Code.: 2930909090
• NSC Number: 131114
• DSSTox Substance ID: DTXSID30947297
• Pharos Ligand ID: 6VD6ZW931KKG
• ChEMBL ID: CHEMBL58135
• Mol file: 24425-56-7.mol

Synonyms:24425-56-7;2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid;NSC131114;CHEMBL58135;2-amino-5-[[1-(carboxymethylamino)-3-hexylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;C16-H29-N3-O6-S;SCHEMBL1158162;DTXSID30947297;CHEBI:181440;BDBM50043758;FT-0770776;N~5~-(2-((Carboxymethyl)amino)-1-((hexylthio)methyl)-2-oxoethyl)glutamine;2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-hexylsulfanyl-ethylcarbamoyl]-butyric acid;2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoicacid;2-amino-5-[[1-(carboxymethylamino)-3-hexylsulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;2-amino-5-[[2-(carboxymethylamino)-1-(hexylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid;5-({1-[(Carboxymethyl)imino]-3-(hexylsulfanyl)-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline

Chemical Property of 2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

Chemical Property:

• Vapor Pressure: 1.61E-24mmHg at 25°C
• Melting Point: 200-202 °C(lit.)
• Boiling Point: 748.5°C at 760 mmHg
• PKA: 2.21±0.10(Predicted)
• Flash Point: 406.5°C
• PSA: 184.12000
• Density: 1.254g/cm³
• LogP: 1.65970
• Storage Temp.: 2-8°C
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 391.17770683
• Heavy Atom Count: 26
• Complexity: 475

Purity/Quality:

98% ^*data from raw suppliers

S-Hexylglutathione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Technology Process of 2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

There total 1 articles about 2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)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:

GLUTATHIONE (70-18-8) + 1-Iodohexane (638-45-9) → S-hexylglutathione (24425-56-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 3h; Ambient temperature;

DOI:10.1248/cpb.34.194

Reference yield:

dehydroretrorsine + S-hexylglutathione (24425-56-7) → 7-glutathionyldehydroretronecine (64660-86-2)

Guidance literature:

In acetonitrile; for 0.0833333h;

DOI:10.1021/acs.chemrestox.6b00260

Reference yield:

S-hexylglutathione (24425-56-7) + dehydromonocrotaline → C18H26N4O7S + 7-glutathionyldehydroretronecine (64660-86-2)

Guidance literature:

In acetonitrile; for 0.0833333h;

DOI:10.1021/acs.chemrestox.6b00260

upstream raw materials:

GLUTATHIONE

1-Iodohexane

Downstream raw materials:

7-glutathionyldehydroretronecine