tert-butyl (2S)-2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-3-(2-methylpropyl)pyridin-4-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-3-(2-methylpropyl)pyridin-4-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[2-(2-amino-2-oxo-ethoxy)-3-isobutyl-pyridine-4-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[2-(2-amino-2-oxoethoxy)-3-(2-methylpropyl)-4-pyridinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[2-(2-amino-2-oxoethoxy)-3-(2-methylpropyl)pyridine-4-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[2-(2-amino-2-keto-ethoxy)-3-isobutyl-isonicotinoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CN=C1OCC(=O)N)C(=O)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1=C(C=CN=C1OCC(=O)N)C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O5/c1-13(2)11-15-14(8-9-23-19(15)28-12-17(22)25)18(26)16-7-6-10-24(16)20(27)29-21(3,4)5/h8-9,13,16H,6-7,10-12H2,1-5H3,(H2,22,25)/t16-/m0/s1