N-[N-(N-benzoylglycyl)-L-histidyl]-L-leucine

Base Information

• Chemical Name: N-[N-(N-benzoylglycyl)-L-histidyl]-L-leucine
• CAS No.: 31373-65-6
• Molecular Formula: C21H27N5O5
• Molecular Weight: 429.476
• European Community (EC) Number: 250-597-9
• Mol file: 31373-65-6.mol

Synonyms:C21H27N5O5;C21-H27-N5-O5;N-[N-(N-benzoylglycyl)-L-histidyl]-L-leucine;N-hippuryl-his-leu tetrahydrate

Chemical Property of N-[N-(N-benzoylglycyl)-L-histidyl]-L-leucine

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 912.4 °C at 760 mmHg
• PKA: 3.26±0.10(Predicted)
• Flash Point: 505.6 °C
• PSA: 153.28000
• Density: 1.283 g/cm³
• LogP: 1.65520
• Storage Temp.: −20°C
• Solubility.: acetic acid: 50 mg/mL, clear, colorless
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 501.24347771
• Heavy Atom Count: 35
• Complexity: 636

Purity/Quality:

98%Min ^*data from raw suppliers

Hippuryl-L-histidyl-L-leucine ^*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: CC(C)CC(C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=CC=C2.O.O.O.O
• Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=CC=C2.O.O.O.O

Technology Process of N-[N-(N-benzoylglycyl)-L-histidyl]-L-leucine

There total 2 articles about N-[N-(N-benzoylglycyl)-L-histidyl]-L-leucine 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:

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + (S)-2-[(S)-2-Amino-3-(1H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoic acid (7763-65-7) → N-α-hippuryl-L-histidyl-L-leucine (31373-65-6)

Guidance literature:

With angiotensin I converting enzyme; In water; dimethyl sulfoxide; Equilibrium constant; buffer (pH 8);

DOI:10.1248/cpb.37.145

Reference yield:

→ N-α-hippuryl-L-histidyl-L-leucine (31373-65-6)

Guidance literature:

Reference yield:

N-α-hippuryl-L-histidyl-L-leucine (31373-65-6) → Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2)

Guidance literature:

With borate-phosphate buffer; at 37 ℃; for 24h; pH=8.0; Enzymatic reaction;

DOI:10.1021/ac052030w

upstream raw materials:

Hippuric Acid

(S)-2-[(S)-2-Amino-3-(1H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoic acid

Downstream raw materials:

Hippuric Acid

(S)-2-[(S)-2-Amino-3-(1H-imidazol-4-yl)-propionylamino]-4-methyl-pentanoic acid

Refernces

• 1、 Sato,Nishikawa,Kanaoka. "Novel fluorogenic substrates containing bimane system for microdetermination of angiotensin I converting enzyme". . p. 145 - 147. Retrieved 2007/10/02.