2-ethanoylsulfanylethyl 3-[(2-methylpropan-2-yl)oxy]-3-(phenethylcarbamoylamino)propanoate

Systemtic Name: 2-ethanoylsulfanylethyl 3-[(2-methylpropan-2-yl)oxy]-3-(phenethylcarbamoylamino)propanoate Openeye Name: 2-acetylsulfanylethyl 3-tert-butoxy-3-(phenethylcarbamoylamino)propanoate CAS Name: 3-[(2-methylpropan-2-yl)oxy]-3-[[oxo-(phenethylamino)methyl]amino]propanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-[(2-methylpropan-2-yl)oxy]-3-(phenethylcarbamoylamino)propanoate Traditional Name: 3-tert-butoxy-3-(phenethylcarbamoylamino)propionic acid 2-(acetylthio)ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)CC(NC(=O)NCCC1=CC=CC=C1)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCOC(=O)CC(NC(=O)NCCC1=CC=CC=C1)OC(C)(C)C

InChI

InChI=1S/C20H30N2O5S/c1-15(23)28-13-12-26-18(24)14-17(27-20(2,3)4)22-19(25)21-11-10-16-8-6-5-7-9-16/h5-9,17H,10-14H2,1-4H3,(H2,21,22,25)