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

Systemtic Name: 2-[[4-(hexadecylamino)phenyl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[4-(hexadecylamino)benzoyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[4-(hexadecylamino)phenyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[4-(hexadecylamino)benzoyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[4-(cetylamino)benzoyl]amino]-2-methyl-propionic acid Formula: C27H46N2O3 MolecularWeight: 446.66574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-24-20-18-23(19-21-24)25(30)29-27(2,3)26(31)32/h18-21,28H,4-17,22H2,1-3H3,(H,29,30)(H,31,32)