(phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(4-hydroxyphenyl)-1-oxobutyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(4-hydroxyphenyl)butanoyl]amino]propionic acid benzyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)O)C(CSC(=O)C)C(=O)NC(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C1=CC=C(C=C1)O)C(CSC(=O)C)C(=O)NC(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO5S/c1-15(19-9-11-20(26)12-10-19)21(14-30-17(3)25)22(27)24-16(2)23(28)29-13-18-7-5-4-6-8-18/h4-12,15-16,21,26H,13-14H2,1-3H3,(H,24,27)