2-[3-[2-[2-(decanoylamino)ethanoylamino]ethanoyloxy]octadecanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-[2-[2-(decanoylamino)ethanoylamino]ethanoyloxy]octadecanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-[2-[[2-(decanoylamino)acetyl]amino]acetyl]oxyoctadecanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[1-oxo-3-[1-oxo-2-[[1-oxo-2-(1-oxodecylamino)ethyl]amino]ethoxy]octadecyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-[2-[[2-(decanoylamino)acetyl]amino]acetyl]oxyoctadecanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-[2-[[2-(caprylamino)acetyl]amino]acetyl]oxyoctadecanoylamino]-3-phenyl-propionic acid Formula: C41H69N3O7 MolecularWeight: 716.00246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)CNC(=O)CNC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)CNC(=O)CNC(=O)CCCCCCCCC

InChI

InChI=1S/C41H69N3O7/c1-3-5-7-9-11-12-13-14-15-16-18-19-24-28-35(31-38(46)44-36(41(49)50)30-34-26-22-21-23-27-34)51-40(48)33-43-39(47)32-42-37(45)29-25-20-17-10-8-6-4-2/h21-23,26-27,35-36H,3-20,24-25,28-33H2,1-2H3,(H,42,45)(H,43,47)(H,44,46)(H,49,50)