N-[6-[aminocarbonyl-[4-(trifluoromethyloxy)phenyl]amino]-5-oxidanylidene-hexyl]-3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanamide

Systemtic Name: N-[6-[aminocarbonyl-[4-(trifluoromethyloxy)phenyl]amino]-5-oxidanylidene-hexyl]-3-azanyl-5-ethylsulfanyl-2-oxidanyl-pentanamide Openeye Name: 3-amino-N-[6-[N-carbamoyl-4-(trifluoromethoxy)anilino]-5-oxo-hexyl]-5-ethylsulfanyl-2-hydroxy-pentanamide CAS Name: 3-amino-N-[6-[N-carbamoyl-4-(trifluoromethoxy)anilino]-5-oxohexyl]-5-(ethylthio)-2-hydroxypentanamide IUPAC Name: 3-amino-N-[6-[N-carbamoyl-4-(trifluoromethoxy)anilino]-5-oxohexyl]-5-ethylsulfanyl-2-hydroxypentanamide Traditional Name: 3-amino-N-[6-[N-carbamoyl-4-(trifluoromethoxy)anilino]-5-keto-hexyl]-5-(ethylthio)-2-hydroxy-valeramide Formula: C21H31F3N4O5S MolecularWeight: 508.55485

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(C(=O)NCCCCC(=O)CN(C1=CC=C(C=C1)OC(F)(F)F)C(=O)N)O)N

Isomeric SMILES

CCSCCC(C(C(=O)NCCCCC(=O)CN(C1=CC=C(C=C1)OC(F)(F)F)C(=O)N)O)N

InChI

InChI=1S/C21H31F3N4O5S/c1-2-34-12-10-17(25)18(30)19(31)27-11-4-3-5-15(29)13-28(20(26)32)14-6-8-16(9-7-14)33-21(22,23)24/h6-9,17-18,30H,2-5,10-13,25H2,1H3,(H2,26,32)(H,27,31)