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

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

CC(C(=O)NCC(=O)O)S[Se]C1=C(C=CC=C1OC)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCC(=O)O)S[Se]C1=C(C=CC=C1OC)C(=O)NCC2=CC=CC=C2

InChI

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