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

Systemtic Name: (phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]propionic acid benzyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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