N-[(5R)-5-azanyl-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrazine-2-carboxamide

Systemtic Name: N-[(5R)-5-azanyl-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrazine-2-carboxamide Openeye Name: N-[(5R)-5-amino-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxo-hexanoyl]pyrazine-2-carboxamide CAS Name: N-[(5R)-5-amino-6-[(2S)-2-cyano-1-pyrrolidinyl]-1,6-dioxohexyl]-2-pyrazinecarboxamide IUPAC Name: N-[(5R)-5-amino-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxohexanoyl]pyrazine-2-carboxamide Traditional Name: N-[(5R)-5-amino-6-[(2S)-2-cyanopyrrolidino]-6-keto-hexanoyl]pyrazinamide Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCC(=O)NC(=O)C2=NC=CN=C2)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CCCC(=O)NC(=O)C2=NC=CN=C2)N)C#N

InChI

InChI=1S/C16H20N6O3/c17-9-11-3-2-8-22(11)16(25)12(18)4-1-5-14(23)21-15(24)13-10-19-6-7-20-13/h6-7,10-12H,1-5,8,18H2,(H,21,23,24)/t11-,12+/m0/s1