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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[2-(mercaptomethyl)-3-phenyl-butanoyl]amino]propionic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-13(15-5-3-2-4-6-15)17(12-26)19(23)21-18(20(24)25)11-14-7-9-16(22)10-8-14/h2-10,13,17-18,22,26H,11-12H2,1H3,(H,21,23)(H,24,25)