ethyl (2S)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl (2S)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl (2S)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxohexadecylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-palmitamido-propionic acid ethyl ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32-4-2)22-23-18-20-24(29)21-19-23/h18-21,25,29H,3-17,22H2,1-2H3,(H,28,30)/t25-/m0/s1