2-[3-[2-methoxy-6-[(phenylmethyl)carbamoyl]phenyl]selanylsulfanylpropanoylamino]ethanoic acid

Systemtic Name: 2-[3-[2-methoxy-6-[(phenylmethyl)carbamoyl]phenyl]selanylsulfanylpropanoylamino]ethanoic acid Openeye Name: 2-[3-[2-(benzylcarbamoyl)-6-methoxy-phenyl]selanylsulfanylpropanoylamino]acetic acid CAS Name: 2-[[3-[[[2-methoxy-6-[oxo-[(phenylmethyl)amino]methyl]phenyl]seleno]thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-[2-(benzylcarbamoyl)-6-methoxyphenyl]selanylsulfanylpropanoylamino]acetic acid Traditional Name: 2-[3-[[[2-(benzylcarbamoyl)-6-methoxy-phenyl]seleno]thio]propanoylamino]acetic acid Formula: C20H22N2O5SSe MolecularWeight: 481.42408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[Se]SCCC(=O)NCC(=O)O)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1[Se]SCCC(=O)NCC(=O)O)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5SSe/c1-27-16-9-5-8-15(20(26)22-12-14-6-3-2-4-7-14)19(16)29-28-11-10-17(23)21-13-18(24)25/h2-9H,10-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)