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

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]-3-hydroxy-propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-12(20)24-10-9-18(8-7-13-5-3-2-4-6-13)16(23)17-14(11-19)15(21)22/h2-6,14,19H,7-11H2,1H3,(H,17,23)(H,21,22)