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

Systemtic Name: methyl (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxododecylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(dodecanoylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(lauroylamino)propionic acid methyl ester Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4/c1-3-4-5-6-7-8-9-10-11-12-21(25)23-20(22(26)27-2)17-18-13-15-19(24)16-14-18/h13-16,20,24H,3-12,17H2,1-2H3,(H,23,25)/t20-/m0/s1