N-(5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-(5-((4-fluorophenyl)carbonylamino)pentyl)-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl)(3-fluorophenyl)carboxamide

Base Information

• Chemical Name: N-(5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-(5-((4-fluorophenyl)carbonylamino)pentyl)-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl)(3-fluorophenyl)carboxamide
• CAS No.: 167826-40-6
• Molecular Formula: C43H50 F2 N4 O5
• Molecular Weight: 740.8777
• DSSTox Substance ID: DTXSID80168399
• Wikidata: Q83038002
• ChEMBL ID: CHEMBL280990

Synonyms:167826-40-6;N-(5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-(5-((4-fluorophenyl)carbonylamino)pentyl)-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl)(3-fluorophenyl)carboxamide;N-[5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-{5-[(4-fluorophenyl)carbonylamino]pentyl}-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl](3-fluorophenyl)carboxamide;DMPC Cyclic Urea 50;BDBM70;CHEMBL280990;DTXSID80168399;N-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-[5-[(4-fluorobenzoyl)amino]pentyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl]-4-fluoro-benzamide;N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-{5-[(4-fluorophenyl)formamido]pentyl}-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl}-4-fluorobenzamide

Chemical Property of N-(5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-(5-((4-fluorophenyl)carbonylamino)pentyl)-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl)(3-fluorophenyl)carboxamide

Chemical Property:

• Boiling Point: 909.8°Cat760mmHg
• Flash Point: 504°C
• Density: 1.223g/cm³
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 740.37492703
• Heavy Atom Count: 54
• Complexity: 1040

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CCCCCNC(=O)C3=CC=C(C=C3)F)CCCCCNC(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5)O)O
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCCCNC(=O)C3=CC=C(C=C3)F)CCCCCNC(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5)O)O

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