2-(dodecanoylamino)-3-oxidanyl-3-phenyl-propanoic acid

Systemtic Name: 2-(dodecanoylamino)-3-oxidanyl-3-phenyl-propanoic acid Openeye Name: 2-(dodecanoylamino)-3-hydroxy-3-phenyl-propanoic acid CAS Name: 3-hydroxy-2-(1-oxododecylamino)-3-phenylpropanoic acid IUPAC Name: 2-(dodecanoylamino)-3-hydroxy-3-phenylpropanoic acid Traditional Name: 3-hydroxy-2-(lauroylamino)-3-phenyl-propionic acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-13-16-18(23)22-19(21(25)26)20(24)17-14-11-10-12-15-17/h10-12,14-15,19-20,24H,2-9,13,16H2,1H3,(H,22,23)(H,25,26)