2-azanyl-3-methyl-3-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-3-methyl-3-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid Openeye Name: 2-amino-3-methyl-3-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid CAS Name: 2-amino-3-methyl-3-[[[2-[oxo-(4-phenylbutylamino)methyl]phenyl]seleno]thio]butanoic acid IUPAC Name: 2-amino-3-methyl-3-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanylbutanoic acid Traditional Name: 2-amino-3-methyl-3-[[[2-(4-phenylbutylcarbamoyl)phenyl]seleno]thio]butyric acid Formula: C22H28N2O3SSe MolecularWeight: 479.49432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)S[Se]C1=CC=CC=C1C(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(C(=O)O)N)S[Se]C1=CC=CC=C1C(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3SSe/c1-22(2,19(23)21(26)27)28-29-18-14-7-6-13-17(18)20(25)24-15-9-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14,19H,8-9,12,15,23H2,1-2H3,(H,24,25)(H,26,27)