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

Systemtic Name: 3-[[4-(hexadecylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(hexadecylamino)benzoyl]amino]propanoic acid CAS Name: 3-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(hexadecylamino)benzoyl]amino]propanoic acid Traditional Name: 3-[[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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-27-24-18-16-23(17-19-24)26(31)28-22-20-25(29)30/h16-19,27H,2-15,20-22H2,1H3,(H,28,31)(H,29,30)