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

Systemtic Name: (phenylmethyl) 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: benzyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 3-[[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)NC2CCCC(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2CCCC(C2)C(=O)OCC3=CC=CC=C3

InChI

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