tert-butyl 3-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]propanoate

Systemtic Name: tert-butyl 3-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]propanoate Openeye Name: tert-butyl 3-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]propanoate CAS Name: 3-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]propanoate Traditional Name: 3-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]propionic acid tert-butyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O4S/c1-16(23)27-15-14-22(13-11-17-8-6-5-7-9-17)19(25)21-12-10-18(24)26-20(2,3)4/h5-9H,10-15H2,1-4H3,(H,21,25)