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

Systemtic Name: (phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]-3-(4-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C29H31NO5S MolecularWeight: 505.62514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H31NO5S/c1-20(24-11-7-4-8-12-24)26(19-36-21(2)31)28(33)30-27(17-22-13-15-25(32)16-14-22)29(34)35-18-23-9-5-3-6-10-23/h3-16,20,26-27,32H,17-19H2,1-2H3,(H,30,33)