2,3,4-tris(docosanoylamino)-2,3-dipropyl-docosanoic acid

Systemtic Name: 2,3,4-tris(docosanoylamino)-2,3-dipropyl-docosanoic acid Openeye Name: 2,3,4-tris(docosanoylamino)-2,3-dipropyl-docosanoic acid CAS Name: 2,3,4-tris(1-oxodocosylamino)-2,3-dipropyldocosanoic acid IUPAC Name: 2,3,4-tris(docosanoylamino)-2,3-dipropyldocosanoic acid Traditional Name: 2,3,4-tris(docosanoylamino)-2,3-dipropyl-behenic acid Formula: C94H185N3O5 MolecularWeight: 1437.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCCCCCC)C(CCC)(C(CCC)(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCCCCCC)C(CCC)(C(CCC)(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C94H185N3O5/c1-7-13-17-21-25-29-33-37-41-45-48-51-55-59-63-67-71-75-79-83-89(98)95-88(82-78-74-70-66-62-58-54-44-40-36-32-28-24-20-16-10-4)93(86-11-5,96-90(99)84-80-76-72-68-64-60-56-52-49-46-42-38-34-30-26-22-18-14-8-2)94(87-12-6,92(101)102)97-91(100)85-81-77-73-69-65-61-57-53-50-47-43-39-35-31-27-23-19-15-9-3/h88H,7-87H2,1-6H3,(H,95,98)(H,96,99)(H,97,100)(H,101,102)