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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxidanylidenedecanoylamino)propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxodecanoylamino)propanoic acid CAS Name: (2S)-2-(1,3-dioxodecylamino)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(3-oxodecanoylamino)propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(3-ketodecanoylamino)propionic acid Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO5/c1-2-3-4-5-6-7-16(22)13-18(23)20-17(19(24)25)12-14-8-10-15(21)11-9-14/h8-11,17,21H,2-7,12-13H2,1H3,(H,20,23)(H,24,25)/t17-/m0/s1