3-(4-hydroxyphenyl)-2-[[4-oxidanylidene-3-phenyl-2-(sulfanylmethyl)butyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[4-oxidanylidene-3-phenyl-2-(sulfanylmethyl)butyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[4-oxo-3-phenyl-2-(sulfanylmethyl)butyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-(mercaptomethyl)-4-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[4-oxo-3-phenyl-2-(sulfanylmethyl)butyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[4-keto-2-(mercaptomethyl)-3-phenyl-butyl]amino]propionic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C=O)C(CNC(CC2=CC=C(C=C2)O)C(=O)O)CS

Isomeric SMILES

C1=CC=C(C=C1)C(C=O)C(CNC(CC2=CC=C(C=C2)O)C(=O)O)CS

InChI

InChI=1S/C20H23NO4S/c22-12-18(15-4-2-1-3-5-15)16(13-26)11-21-19(20(24)25)10-14-6-8-17(23)9-7-14/h1-9,12,16,18-19,21,23,26H,10-11,13H2,(H,24,25)