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

Systemtic Name: (phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]hexanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]hexanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]hexanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]hexanoic acid benzyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C(C)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C(C)C2=CC=CC=C2

InChI

InChI=1S/C26H33NO4S/c1-4-5-16-24(26(30)31-17-21-12-8-6-9-13-21)27-25(29)23(18-32-20(3)28)19(2)22-14-10-7-11-15-22/h6-15,19,23-24H,4-5,16-18H2,1-3H3,(H,27,29)