2-(hexadecanoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(hexadecanoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(hexadecanoylamino)-3-phenyl-propanoic acid CAS Name: 2-(1-oxohexadecylamino)-3-phenylpropanoic acid IUPAC Name: 2-(hexadecanoylamino)-3-phenylpropanoic acid Traditional Name: 2-palmitamido-3-phenyl-propionic acid Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)26-23(25(28)29)21-22-18-15-14-16-19-22/h14-16,18-19,23H,2-13,17,20-21H2,1H3,(H,26,27)(H,28,29)