(2S)-1-(2-azanylethanoyl)-4-(4-cyanophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide

Systemtic Name: (2S)-1-(2-azanylethanoyl)-4-(4-cyanophenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazine-2-carboxamide Openeye Name: (2S)-1-(2-aminoacetyl)-4-(4-cyanobenzoyl)-N-[(3S)-2-oxo-3-piperidyl]piperazine-2-carboxamide CAS Name: (2S)-1-(2-amino-1-oxoethyl)-4-[(4-cyanophenyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazinecarboxamide IUPAC Name: (2S)-1-(2-aminoacetyl)-4-(4-cyanobenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide Traditional Name: (2S)-4-(4-cyanobenzoyl)-1-glycyl-N-[(3S)-2-keto-3-piperidyl]piperazine-2-carboxamide Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)C2CN(CCN2C(=O)CN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H]2CN(CCN2C(=O)CN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H24N6O4/c21-10-13-3-5-14(6-4-13)20(30)25-8-9-26(17(27)11-22)16(12-25)19(29)24-15-2-1-7-23-18(15)28/h3-6,15-16H,1-2,7-9,11-12,22H2,(H,23,28)(H,24,29)/t15-,16-/m0/s1