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

Systemtic Name: 2-[[4-(hexadecylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-(hexadecylamino)benzoyl]amino]propanoic acid CAS Name: 2-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-(hexadecylamino)benzoyl]amino]propanoic acid Traditional Name: 2-[[4-(cetylamino)benzoyl]amino]propionic acid Formula: C26H44N2O3 MolecularWeight: 432.63916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-24-19-17-23(18-20-24)25(29)28-22(2)26(30)31/h17-20,22,27H,3-16,21H2,1-2H3,(H,28,29)(H,30,31)