2-[[3-fluoranyl-4-(hexadecylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[3-fluoranyl-4-(hexadecylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-fluoro-4-(hexadecylamino)benzoyl]amino]propanoic acid CAS Name: 2-[[[3-fluoro-4-(hexadecylamino)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[3-fluoro-4-(hexadecylamino)benzoyl]amino]propanoic acid Traditional Name: 2-[[4-(cetylamino)-3-fluoro-benzoyl]amino]propionic acid Formula: C26H43FN2O3 MolecularWeight: 450.629623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)NC(C)C(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)NC(C)C(=O)O)F

InChI

InChI=1S/C26H43FN2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-24-18-17-22(20-23(24)27)25(30)29-21(2)26(31)32/h17-18,20-21,28H,3-16,19H2,1-2H3,(H,29,30)(H,31,32)