6-azanyl-2-[[6-azanyl-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]hexanoic acid; hydron; bromide

Systemtic Name: 6-azanyl-2-[[6-azanyl-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]hexanoic acid; hydron; bromide Openeye Name: 6-amino-2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]hexanoic acid; hydron; bromide CAS Name: 6-amino-2-[[6-amino-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]hexyl]amino]hexanoic acid; hydron; bromide IUPAC Name: 6-amino-2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]hexanoic acid; hydron; bromide Traditional Name: 6-amino-2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]hexanoic acid; hydron; bromide Formula: C46H92BrN4O6+ MolecularWeight: 877.14988

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CCCCCCCCCCCCCCCC(CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)OC(=O)CCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

[H+].[H+].CCCCCCCCCCCCCCCC(CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)OC(=O)CCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C46H90N4O6.BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-40(56-44(52)36-28-26-24-22-20-18-16-14-12-10-8-6-4-2)39-43(51)49-41(34-29-31-37-47)45(53)50-42(46(54)55)35-30-32-38-48;/h40-42H,3-39,47-48H2,1-2H3,(H,49,51)(H,50,53)(H,54,55);1H/p+1