(phenylmethyl) (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: benzyl (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxododecylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(lauroylamino)propionic acid benzyl ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H39NO4/c1-2-3-4-5-6-7-8-9-13-16-27(31)29-26(21-23-17-19-25(30)20-18-23)28(32)33-22-24-14-11-10-12-15-24/h10-12,14-15,17-20,26,30H,2-9,13,16,21-22H2,1H3,(H,29,31)/t26-/m0/s1