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

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [(2S)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [(1S)-2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H25N5O5/c1-14(20(29)26-22(31)25-17-5-3-2-4-6-17)32-21(30)15-9-11-27(12-10-15)18-8-7-16(13-24-18)19(23)28/h2-8,13-15H,9-12H2,1H3,(H2,23,28)(H2,25,26,29,31)/t14-/m0/s1