1-[2-azanyl-3-methyl-3-(3-phenylpropylsulfanyl)butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[2-azanyl-3-methyl-3-(3-phenylpropylsulfanyl)butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-methyl-3-(3-phenylpropylsulfanyl)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-methyl-1-oxo-3-(3-phenylpropylthio)butyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-methyl-3-(3-phenylpropylsulfanyl)butanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-methyl-3-(3-phenylpropylthio)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C19H27ClFN3OS MolecularWeight: 399.953583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCCCC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCCCC2=CC=CC=C2.Cl

InChI

InChI=1S/C19H26FN3OS.ClH/c1-19(2,25-10-6-9-14-7-4-3-5-8-14)17(22)18(24)23-13-15(20)11-16(23)12-21;/h3-5,7-8,15-17H,6,9-11,13,22H2,1-2H3;1H