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

Systemtic Name: 3-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]propanoic acid Openeye Name: 3-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]propanoic acid CAS Name: 3-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]propanoic acid Traditional Name: 3-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]propionic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-13(19)23-12-11-18(16(22)17-9-7-15(20)21)10-8-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,17,22)(H,20,21)