(2S,5S)-5-ethynyl-1-[2-(2-methylbutan-2-ylamino)ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5S)-5-ethynyl-1-[2-(2-methylbutan-2-ylamino)ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S,5S)-1-[2-(1,1-dimethylpropylamino)acetyl]-5-ethynyl-pyrrolidine-2-carbonitrile CAS Name: (2S,5S)-5-ethynyl-1-[2-(2-methylbutan-2-ylamino)-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5S)-5-ethynyl-1-[2-(2-methylbutan-2-ylamino)acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S,5S)-1-[2-(tert-amylamino)acetyl]-5-ethynyl-pyrrolidine-2-carbonitrile Formula: C14H21N3O MolecularWeight: 247.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)N1C(CCC1C#N)C#C

Isomeric SMILES

CCC(C)(C)NCC(=O)N1[C@@H](CC[C@H]1C#N)C#C

InChI

InChI=1S/C14H21N3O/c1-5-11-7-8-12(9-15)17(11)13(18)10-16-14(3,4)6-2/h1,11-12,16H,6-8,10H2,2-4H3/t11-,12+/m1/s1