(2S,5R)-1-[(2S)-2-azanyl-3-pyridin-4-yl-propanoyl]-5-ethynyl-pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5R)-1-[(2S)-2-azanyl-3-pyridin-4-yl-propanoyl]-5-ethynyl-pyrrolidine-2-carbonitrile Openeye Name: (2S,5R)-1-[(2S)-2-amino-3-(4-pyridyl)propanoyl]-5-ethynyl-pyrrolidine-2-carbonitrile CAS Name: (2S,5R)-1-[(2S)-2-amino-1-oxo-3-pyridin-4-ylpropyl]-5-ethynyl-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5R)-1-[(2S)-2-amino-3-pyridin-4-ylpropanoyl]-5-ethynylpyrrolidine-2-carbonitrile Traditional Name: (2S,5R)-1-[(2S)-2-amino-3-(4-pyridyl)propanoyl]-5-ethynyl-pyrrolidine-2-carbonitrile Formula: C15H16N4O MolecularWeight: 268.31374

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)C(CC2=CC=NC=C2)N)C#N

Isomeric SMILES

C#C[C@H]1CC[C@H](N1C(=O)[C@H](CC2=CC=NC=C2)N)C#N

InChI

InChI=1S/C15H16N4O/c1-2-12-3-4-13(10-16)19(12)15(20)14(17)9-11-5-7-18-8-6-11/h1,5-8,12-14H,3-4,9,17H2/t12-,13-,14-/m0/s1