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

Systemtic Name: 2-azanyl-3-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanyl-propanoic acid CAS Name: 2-amino-3-[[[2-[oxo-(4-phenylbutylamino)methyl]phenyl]seleno]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-phenylbutylcarbamoyl)phenyl]selanylsulfanylpropanoic acid Traditional Name: 2-amino-3-[[[2-(4-phenylbutylcarbamoyl)phenyl]seleno]thio]propionic acid Formula: C20H24N2O3SSe MolecularWeight: 451.44116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3SSe/c21-17(20(24)25)14-26-27-18-12-5-4-11-16(18)19(23)22-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,17H,6-7,10,13-14,21H2,(H,22,23)(H,24,25)