(phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-propanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-methylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-methylpropanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-2-methyl-propionic acid benzyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO4S/c1-17(25)29-16-20(14-18-10-6-4-7-11-18)21(26)24-23(2,3)22(27)28-15-19-12-8-5-9-13-19/h4-13,20H,14-16H2,1-3H3,(H,24,26)