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

Systemtic Name: 2-azanyl-4-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid Openeye Name: 2-amino-4-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanyl-butanoic acid CAS Name: 2-amino-4-[[[2-[oxo-(4-phenylbutylamino)methyl]phenyl]seleno]thio]butanoic acid IUPAC Name: 2-amino-4-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanylbutanoic acid Traditional Name: 2-amino-4-[[[2-(4-phenylbutylcarbamoyl)phenyl]seleno]thio]butyric acid Formula: C21H26N2O3SSe MolecularWeight: 465.46774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2=CC=CC=C2[Se]SCCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2=CC=CC=C2[Se]SCCC(C(=O)O)N

InChI

InChI=1S/C21H26N2O3SSe/c22-18(21(25)26)13-15-27-28-19-12-5-4-11-17(19)20(24)23-14-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-12,18H,6-7,10,13-15,22H2,(H,23,24)(H,25,26)