tert-Butyloxycarbonyl-prolyl-2-aminoisobutyryl-alanyl-2-aminoisobutyrate methyl ester

Base Information

• Chemical Name: tert-Butyloxycarbonyl-prolyl-2-aminoisobutyryl-alanyl-2-aminoisobutyrate methyl ester
• CAS No.: 64295-19-8
• Molecular Formula: C22H38 N4 O7
• Molecular Weight: 470.56
• DSSTox Substance ID: DTXSID50214519
• Wikidata: Q83090383
• Mol file: 64295-19-8.mol

Synonyms:Boc-Pro-Aib-Ala-Aib-OMe;tert-butyloxycarbonyl-prolyl-2-aminoisobutyryl-alanyl-2-aminoisobutyrate methyl ester

Chemical Property of tert-Butyloxycarbonyl-prolyl-2-aminoisobutyryl-alanyl-2-aminoisobutyrate methyl ester

Chemical Property:

• Vapor Pressure: 7.56E-19mmHg at 25°C
• Boiling Point: 689.2°C at 760 mmHg
• Flash Point: 370.6°C
• PSA: 153.61000
• Density: 1.163g/cm³
• LogP: 3.31200
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 470.27404956
• Heavy Atom Count: 33
• Complexity: 786

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(C)(C)C(=O)OC)NC(=O)C(C)(C)NC(=O)C1CCCN1C(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H](C(=O)NC(C)(C)C(=O)OC)NC(=O)C(C)(C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

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