1-(2-azanyl-3-methyl-3-phenethylsulfanyl-butanoyl)-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-(2-azanyl-3-methyl-3-phenethylsulfanyl-butanoyl)-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-(2-amino-3-methyl-3-phenethylsulfanyl-butanoyl)-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-methyl-1-oxo-3-(phenethylthio)butyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-(2-amino-3-methyl-3-phenethylsulfanylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-methyl-3-(phenethylthio)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C18H25ClFN3OS MolecularWeight: 385.927003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCCC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCCC2=CC=CC=C2.Cl

InChI

InChI=1S/C18H24FN3OS.ClH/c1-18(2,24-9-8-13-6-4-3-5-7-13)16(21)17(23)22-12-14(19)10-15(22)11-20;/h3-7,14-16H,8-10,12,21H2,1-2H3;1H