N-(5-((4R,5S,6S,7R)-3-(5-Acetylamino-pentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-perhydro-1,3-diazepin-1-yl)-pentyl)-acetamide

Base Information

• Chemical Name: N-(5-((4R,5S,6S,7R)-3-(5-Acetylamino-pentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-perhydro-1,3-diazepin-1-yl)-pentyl)-acetamide
• CAS No.: 167826-31-5
• Molecular Formula: C33H48 N4 O5
• Molecular Weight: 580.758
• DSSTox Substance ID: DTXSID40168395
• Wikidata: Q83037995
• ChEMBL ID: CHEMBL28516

Synonyms:167826-31-5;N-(5-((4R,5S,6S,7R)-3-(5-Acetylamino-pentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-perhydro-1,3-diazepin-1-yl)-pentyl)-acetamide;N-{5-[(4R,5S,6S,7R)-3-(5-Acetylamino-pentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-perhydro-1,3-diazepin-1-yl]-pentyl}-acetamide;DMPC Cyclic Urea 97;BDBM117;CHEMBL28516;DTXSID40168395;N-[5-[(4R,5S,6S,7R)-3-(5-acetamidopentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl]acetamide;N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-acetamidopentyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl}acetamide

Chemical Property of N-(5-((4R,5S,6S,7R)-3-(5-Acetylamino-pentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-perhydro-1,3-diazepin-1-yl)-pentyl)-acetamide

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 580.36247064
• Heavy Atom Count: 42
• Complexity: 750

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCCCCN1C(C(C(C(N(C1=O)CCCCCNC(=O)C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3
• Isomeric SMILES: CC(=O)NCCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCNC(=O)C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3

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