2-(3-azanyl-3-oxidanylidene-propyl)-2-[11-oxidanylundecanoyl(tetradecyl)amino]hexadecanoic acid

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-2-[11-oxidanylundecanoyl(tetradecyl)amino]hexadecanoic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-2-[11-hydroxyundecanoyl(tetradecyl)amino]hexadecanoic acid CAS Name: 2-(3-amino-3-oxopropyl)-2-[(11-hydroxy-1-oxoundecyl)-tetradecylamino]hexadecanoic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-2-[11-hydroxyundecanoyl(tetradecyl)amino]hexadecanoic acid Traditional Name: 2-(3-amino-3-keto-propyl)-2-[11-hydroxyundecanoyl(myristyl)amino]palmitic acid Formula: C44H86N2O5 MolecularWeight: 723.16404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCC(=O)N)(C(=O)O)N(CCCCCCCCCCCCCC)C(=O)CCCCCCCCCCO

Isomeric SMILES

CCCCCCCCCCCCCCC(CCC(=O)N)(C(=O)O)N(CCCCCCCCCCCCCC)C(=O)CCCCCCCCCCO

InChI

InChI=1S/C44H86N2O5/c1-3-5-7-9-11-13-15-17-20-24-28-32-37-44(43(50)51,38-36-41(45)48)46(42(49)35-31-27-23-19-22-26-30-34-40-47)39-33-29-25-21-18-16-14-12-10-8-6-4-2/h47H,3-40H2,1-2H3,(H2,45,48)(H,50,51)