Butanoic acid, L-asparaginyl-N3-(1-carboxy-2-(1H-imidazol-4-yl)ethyl)-L-threo-2,3-diamino-, (S)-

Base Information

Chemical Name:Butanoic acid, L-asparaginyl-N3-(1-carboxy-2-(1H-imidazol-4-yl)ethyl)-L-threo-2,3-diamino-, (S)-
CAS No.:105424-59-7
Molecular Formula:C₁₄H₂₂N₆O₆
Molecular Weight:370.365
Hs Code.:
DSSTox Substance ID:DTXSID40147125
Nikkaji Number:J261.810I
Wikidata:Q83012212
Mol file:105424-59-7.mol

Synonyms:FR 900490;FR-900490

Suppliers and Price of Butanoic acid, L-asparaginyl-N3-(1-carboxy-2-(1H-imidazol-4-yl)ethyl)-L-threo-2,3-diamino-, (S)-

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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price

Total 1 raw suppliers

Chemical Property of Butanoic acid, L-asparaginyl-N3-(1-carboxy-2-(1H-imidazol-4-yl)ethyl)-L-threo-2,3-diamino-, (S)-

Chemical Property:

Vapor Pressure:5.32E-34mmHg at 25°C
Boiling Point:890°Cat760mmHg
Flash Point:492.1°C
Density:1.467g/cm³
XLogP3:-7.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:370.16008244
Heavy Atom Count:26
Complexity:544

Purity/Quality:: >98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(C(=O)O)NC(=O)C(CC(=O)N)N)NC(CC1=CN=CN1)C(=O)O
Isomeric SMILES:C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N)N[C@@H](CC1=CN=CN1)C(=O)O

Technology Process of Butanoic acid, L-asparaginyl-N3-(1-carboxy-2-(1H-imidazol-4-yl)ethyl)-L-threo-2,3-diamino-, (S)-

There total 3 articles about Butanoic acid, L-asparaginyl-N3-(1-carboxy-2-(1H-imidazol-4-yl)ethyl)-L-threo-2,3-diamino-, (S)- 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: 73.0%

: 105424-62-2,105498-65-5,105498-66-6,105498-67-7
(2S,3R)-2-((S)-2-Benzyloxycarbonylamino-3-{[bis-(4-methoxy-phenyl)-methyl]-carbamoyl}-propionylamino)-3-[(S)-1-carboxy-2-(3H-imidazol-4-yl)-ethylamino]-butyric acid

: 105424-59-7,105498-68-8,105498-69-9,105498-70-2
FR₉₀₀₄₉₀

Guidance literature:: With hydrogen bromide;
DOI:10.1016/S0040-4039(00)80704-2

Reference yield:

conc. aqueous ammonia: conc. aqueous ammonia

: 4587-33-1
N-(tert-butyloxycarbonyl)-L-asparagine p-nitrophenyl ester

: 88495-07-2
(2S,3R)-2-amino-3-[[(1S)-1-carboxy-2-(4-imidazolyl)ethyl]amino]butyric acid

: 105424-59-7,105498-68-8,105498-69-9,105498-70-2
FR₉₀₀₄₉₀

Guidance literature:: With acetic acid; triethylamine; In 1,4-dioxane; methanol; chloroform; water; trifluoroacetic acid;

Reference yield:

: 88495-07-2
(2S,3R)-2-amino-3-[[(1S)-1-carboxy-2-(4-imidazolyl)ethyl]amino]butyric acid

: 105424-59-7,105498-68-8,105498-69-9,105498-70-2
FR₉₀₀₄₉₀

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / dioxane; H₂O

2: 73 percent / 30percent HBr

With hydrogen bromide; triethylamine; In 1,4-dioxane; water;
DOI:10.1016/S0040-4039(00)80704-2