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

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(methyl)carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl(methyl)carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(acetylthio)ethyl-methylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-acetylsulfanylethyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(acetylthio)ethyl-methyl-carbamoyl]amino]-3-phenyl-propionic acid Formula: C15H20N2O4S MolecularWeight: 324.3953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(C)C(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCCN(C)C(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H20N2O4S/c1-11(18)22-9-8-17(2)15(21)16-13(14(19)20)10-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3,(H,16,21)(H,19,20)