2-acetamido-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid

Systemtic Name: 2-acetamido-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid Openeye Name: 2-acetamido-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid CAS Name: 2-acetamido-3-[[[2-[anilino(oxo)methyl]phenyl]seleno]thio]-3-methylbutanoic acid IUPAC Name: 2-acetamido-3-methyl-3-[2-(phenylcarbamoyl)phenyl]selanylsulfanylbutanoic acid Traditional Name: 2-acetamido-3-methyl-3-[[[2-(phenylcarbamoyl)phenyl]seleno]thio]butyric acid Formula: C20H22N2O4SSe MolecularWeight: 465.42468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)O)C(C)(C)S[Se]C1=CC=CC=C1C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(C(=O)O)C(C)(C)S[Se]C1=CC=CC=C1C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4SSe/c1-13(23)21-17(19(25)26)20(2,3)27-28-16-12-8-7-11-15(16)18(24)22-14-9-5-4-6-10-14/h4-12,17H,1-3H3,(H,21,23)(H,22,24)(H,25,26)