2-[[2-[(2-Aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-[[2-[(2-Aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
• CAS No.: 13116-21-7
• Molecular Formula: C20H23 N3 O4
• Molecular Weight: 369.42
• Hs Code.: 2924299090
• NSC Number: 89645
• DSSTox Substance ID: DTXSID80875238
• Mol file: 13116-21-7.mol

Synonyms:2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid;(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid;NSC89645;NCIOpen2_009684;SCHEMBL8068319;DTXSID80875238;NSC-89645;FT-0773987

Chemical Property of 2-[[2-[(2-Aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 7.69E-22mmHg at 25°C
• Boiling Point: 721.4°Cat760mmHg
• Flash Point: 390.1°C
• PSA: 121.52000
• Density: 1.261g/cm³
• LogP: 1.96680
• Storage Temp.: −20°C
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 369.16885622
• Heavy Atom Count: 27
• Complexity: 500

Purity/Quality:

99% ^*data from raw suppliers

Gly-Phe-Phe-OH ^*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: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)CN

Technology Process of 2-[[2-[(2-Aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

There total 1 articles about 2-[[2-[(2-Aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic 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:

N-(fluoren-9-ylmethoxycarbonyl)glycine (29022-11-5) + N-Fmoc L-Phe (35661-40-6) → Gly-(S)-Phe-(S)-Phe-OH (13116-21-7)

Guidance literature:

Multistep reaction.;

DOI:10.1021/ja074244w

Reference yield: 91.0%

(R)-1-benzotriazol-1-yl-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (942130-82-7) + Gly-(S)-Phe-(S)-Phe-OH (13116-21-7) → (S)-3-phenyl-2-{(S)-3-phenyl-2-[2-((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropionylamino)acetylamino]propionylamino}propionic acid

Guidance literature:

With triethylamine; In water; acetonitrile; at 20 ℃; for 12h;

DOI:10.1021/jo070278a

Reference yield: 70.0%

7-(methoxycarbonyl)pterine (31010-69-2) + Gly-(S)-Phe-(S)-Phe-OH (13116-21-7) → C27H26N8O6 (1415888-11-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; at 20 ℃;

DOI:10.1021/jm3016393

upstream raw materials:

N-(fluoren-9-ylmethoxycarbonyl)glycine

N-Fmoc L-Phe

Downstream raw materials:

C₂₇H₂₆N₈O₆

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