2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(COC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(COC(C)(C)C)C(=O)O

InChI

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