[(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [(1S)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC(C)(C)C)OC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(=O)N

InChI

InChI=1S/C19H28N4O4/c1-12(17(25)22-19(2,3)4)27-18(26)13-7-9-23(10-8-13)15-6-5-14(11-21-15)16(20)24/h5-6,11-13H,7-10H2,1-4H3,(H2,20,24)(H,22,25)/t12-/m0/s1