2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]propanoic acid

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]propanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]propanoic acid CAS Name: 2-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]propanoic acid Traditional Name: 2-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]propionic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N(CCC1=CC=CC=C1)CCSC(=O)C

Isomeric SMILES

CC(C(=O)O)NC(=O)N(CCC1=CC=CC=C1)CCSC(=O)C

InChI

InChI=1S/C16H22N2O4S/c1-12(15(20)21)17-16(22)18(10-11-23-13(2)19)9-8-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,22)(H,20,21)