N-[[(3R)-3-azanyl-4-[(2S,4S)-2-cyano-4-fluoranyl-pyrrolidin-1-yl]-2-methyl-4-oxidanylidene-butan-2-yl]sulfanylmethyl]ethanamide

Systemtic Name: N-[[(3R)-3-azanyl-4-[(2S,4S)-2-cyano-4-fluoranyl-pyrrolidin-1-yl]-2-methyl-4-oxidanylidene-butan-2-yl]sulfanylmethyl]ethanamide Openeye Name: N-[[(2R)-2-amino-3-[(2S,4S)-2-cyano-4-fluoro-pyrrolidin-1-yl]-1,1-dimethyl-3-oxo-propyl]sulfanylmethyl]acetamide CAS Name: N-[[[(3R)-3-amino-4-[(2S,4S)-2-cyano-4-fluoro-1-pyrrolidinyl]-2-methyl-4-oxobutan-2-yl]thio]methyl]acetamide IUPAC Name: N-[[(3R)-3-amino-4-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-methyl-4-oxobutan-2-yl]sulfanylmethyl]acetamide Traditional Name: N-[[[(2R)-2-amino-3-[(2S,4S)-2-cyano-4-fluoro-pyrrolidino]-3-keto-1,1-dimethyl-propyl]thio]methyl]acetamide Formula: C13H21FN4O2S MolecularWeight: 316.394843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCSC(C)(C)C(C(=O)N1CC(CC1C#N)F)N

Isomeric SMILES

CC(=O)NCSC(C)(C)[C@@H](C(=O)N1C[C@H](C[C@H]1C#N)F)N

InChI

InChI=1S/C13H21FN4O2S/c1-8(19)17-7-21-13(2,3)11(16)12(20)18-6-9(14)4-10(18)5-15/h9-11H,4,6-7,16H2,1-3H3,(H,17,19)/t9-,10-,11+/m0/s1