2-[3-[6-(6-acetamidohexanoylamino)hexanoyloxy]octadecanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-[6-(6-acetamidohexanoylamino)hexanoyloxy]octadecanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-[6-(6-acetamidohexanoylamino)hexanoyloxy]octadecanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-[6-[(6-acetamido-1-oxohexyl)amino]-1-oxohexoxy]-1-oxooctadecyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-[6-(6-acetamidohexanoylamino)hexanoyloxy]octadecanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-[6-(6-acetamidohexanoylamino)hexanoyloxy]octadecanoylamino]-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)CCCCCNC(=O)CCCCCNC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)CCCCCNC(=O)CCCCCNC(=O)C

InChI

InChI=1S/C41H69N3O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-27-36(33-39(47)44-37(41(49)50)32-35-25-18-15-19-26-35)51-40(48)29-22-17-24-31-43-38(46)28-21-16-23-30-42-34(2)45/h15,18-19,25-26,36-37H,3-14,16-17,20-24,27-33H2,1-2H3,(H,42,45)(H,43,46)(H,44,47)(H,49,50)