2-ethanoylsulfanylethyl 3-(2-cyclohexylethylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: 2-ethanoylsulfanylethyl 3-(2-cyclohexylethylcarbamoylamino)-3-phenyl-propanoate Openeye Name: 2-acetylsulfanylethyl 3-(2-cyclohexylethylcarbamoylamino)-3-phenyl-propanoate CAS Name: 3-[[(2-cyclohexylethylamino)-oxomethyl]amino]-3-phenylpropanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-(2-cyclohexylethylcarbamoylamino)-3-phenylpropanoate Traditional Name: 3-(2-cyclohexylethylcarbamoylamino)-3-phenyl-propionic acid 2-(acetylthio)ethyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)CC(C1=CC=CC=C1)NC(=O)NCCC2CCCCC2

Isomeric SMILES

CC(=O)SCCOC(=O)CC(C1=CC=CC=C1)NC(=O)NCCC2CCCCC2

InChI

InChI=1S/C22H32N2O4S/c1-17(25)29-15-14-28-21(26)16-20(19-10-6-3-7-11-19)24-22(27)23-13-12-18-8-4-2-5-9-18/h3,6-7,10-11,18,20H,2,4-5,8-9,12-16H2,1H3,(H2,23,24,27)