2-acetamido-3-[2-methoxy-6-(phenylcarbamoyl)phenyl]selanylsulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-acetamido-3-[2-methoxy-6-(phenylcarbamoyl)phenyl]selanylsulfanyl-3-methyl-butanoic acid Openeye Name: 2-acetamido-3-[2-methoxy-6-(phenylcarbamoyl)phenyl]selanylsulfanyl-3-methyl-butanoic acid CAS Name: 2-acetamido-3-[[[2-[anilino(oxo)methyl]-6-methoxyphenyl]seleno]thio]-3-methylbutanoic acid IUPAC Name: 2-acetamido-3-[2-methoxy-6-(phenylcarbamoyl)phenyl]selanylsulfanyl-3-methylbutanoic acid Traditional Name: 2-acetamido-3-[[[2-methoxy-6-(phenylcarbamoyl)phenyl]seleno]thio]-3-methyl-butyric acid Formula: C21H24N2O5SSe MolecularWeight: 495.45066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5SSe/c1-13(24)22-18(20(26)27)21(2,3)29-30-17-15(11-8-12-16(17)28-4)19(25)23-14-9-6-5-7-10-14/h5-12,18H,1-4H3,(H,22,24)(H,23,25)(H,26,27)