2-methylsulfanylethyl 3-(phenethylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: 2-methylsulfanylethyl 3-(phenethylcarbamoylamino)-3-phenyl-propanoate Openeye Name: 2-methylsulfanylethyl 3-(phenethylcarbamoylamino)-3-phenyl-propanoate CAS Name: 3-[[oxo-(phenethylamino)methyl]amino]-3-phenylpropanoic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 3-(phenethylcarbamoylamino)-3-phenylpropanoate Traditional Name: 3-(phenethylcarbamoylamino)-3-phenyl-propionic acid 2-(methylthio)ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)CC(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CSCCOC(=O)CC(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-27-15-14-26-20(24)16-19(18-10-6-3-7-11-18)23-21(25)22-13-12-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H2,22,23,25)