(phenylmethyl) 1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: benzyl 1-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]cyclohexanecarboxylic acid benzyl ester Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CCCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2(CCCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31NO4S/c1-20(28)32-19-23(17-21-11-5-2-6-12-21)24(29)27-26(15-9-4-10-16-26)25(30)31-18-22-13-7-3-8-14-22/h2-3,5-8,11-14,23H,4,9-10,15-19H2,1H3,(H,27,29)