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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylidenehexadecanoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxohexadecanoylamino)propanoic acid CAS Name: (2S)-2-(1,3-dioxohexadecylamino)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxohexadecanoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(3-ketohexadecanoylamino)propionic acid Formula: C25H39NO5 MolecularWeight: 433.58086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(28)19-24(29)26-23(25(30)31)18-20-14-16-21(27)17-15-20/h14-17,23,27H,2-13,18-19H2,1H3,(H,26,29)(H,30,31)/t23-/m0/s1