2-acetamido-4-[2-methoxy-6-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid

Systemtic Name: 2-acetamido-4-[2-methoxy-6-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid Openeye Name: 2-acetamido-4-[2-methoxy-6-(phenylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid CAS Name: 2-acetamido-4-[[[2-[anilino(oxo)methyl]-6-methoxyphenyl]seleno]thio]butanoic acid IUPAC Name: 2-acetamido-4-[2-methoxy-6-(phenylcarbamoyl)phenyl]selanylsulfanylbutanoic acid Traditional Name: 2-acetamido-4-[[[2-methoxy-6-(phenylcarbamoyl)phenyl]seleno]thio]butyric acid Formula: C20H22N2O5SSe MolecularWeight: 481.42408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCS[Se]C1=C(C=CC=C1OC)C(=O)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)NC(CCS[Se]C1=C(C=CC=C1OC)C(=O)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H22N2O5SSe/c1-13(23)21-16(20(25)26)11-12-28-29-18-15(9-6-10-17(18)27-2)19(24)22-14-7-4-3-5-8-14/h3-10,16H,11-12H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)