N'-(2-ethylsulfanylethyl)-2-fluoranyl-2-methyl-5-(2-oxidanyl-4-phenyl-butyl)hexanediamide

Systemtic Name: N'-(2-ethylsulfanylethyl)-2-fluoranyl-2-methyl-5-(2-oxidanyl-4-phenyl-butyl)hexanediamide Openeye Name: N'-(2-ethylsulfanylethyl)-2-fluoro-5-(2-hydroxy-4-phenyl-butyl)-2-methyl-hexanediamide CAS Name: N'-[2-(ethylthio)ethyl]-2-fluoro-5-(2-hydroxy-4-phenylbutyl)-2-methylhexanediamide IUPAC Name: N'-(2-ethylsulfanylethyl)-2-fluoro-5-(2-hydroxy-4-phenylbutyl)-2-methylhexanediamide Traditional Name: N'-[2-(ethylthio)ethyl]-2-fluoro-5-(2-hydroxy-4-phenyl-butyl)-2-methyl-adipamide Formula: C21H33FN2O3S MolecularWeight: 412.561723

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C(CCC(C)(C(=O)N)F)CC(CCC1=CC=CC=C1)O

Isomeric SMILES

CCSCCNC(=O)C(CCC(C)(C(=O)N)F)CC(CCC1=CC=CC=C1)O

InChI

InChI=1S/C21H33FN2O3S/c1-3-28-14-13-24-19(26)17(11-12-21(2,22)20(23)27)15-18(25)10-9-16-7-5-4-6-8-16/h4-8,17-18,25H,3,9-15H2,1-2H3,(H2,23,27)(H,24,26)