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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylideneundecanoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxoundecanoylamino)propanoic acid CAS Name: (2S)-2-(1,3-dioxoundecylamino)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxoundecanoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(3-ketoundecanoylamino)propionic acid Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO5/c1-2-3-4-5-6-7-8-17(23)14-19(24)21-18(20(25)26)13-15-9-11-16(22)12-10-15/h9-12,18,22H,2-8,13-14H2,1H3,(H,21,24)(H,25,26)/t18-/m0/s1