(2S)-1-(2-azanyl-5-oxidanylidene-6-pyridin-3-yl-hexanoyl)pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-(2-azanyl-5-oxidanylidene-6-pyridin-3-yl-hexanoyl)pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-amino-5-oxo-6-(3-pyridyl)hexanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-amino-1,5-dioxo-6-(3-pyridinyl)hexyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-(2-amino-5-oxo-6-pyridin-3-ylhexanoyl)pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-amino-5-keto-6-(3-pyridyl)hexanoyl]pyrrolidine-2-carbonitrile Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)CC2=CN=CC=C2)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CCC(=O)CC2=CN=CC=C2)N)C#N

InChI

InChI=1S/C16H20N4O2/c17-10-13-4-2-8-20(13)16(22)15(18)6-5-14(21)9-12-3-1-7-19-11-12/h1,3,7,11,13,15H,2,4-6,8-9,18H2/t13-,15?/m0/s1