(2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxododecylamino)propanoic acid IUPAC Name: (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(lauroylamino)propionic acid Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-11-20(24)22-19(21(25)26)16-17-12-14-18(23)15-13-17/h12-15,19,23H,2-11,16H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1