methyl (2S)-1-[5-(cyclohexylmethylcarbamoyl)-4-oxidanylidene-1-propan-2-yl-pyridin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[5-(cyclohexylmethylcarbamoyl)-4-oxidanylidene-1-propan-2-yl-pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[5-(cyclohexylmethylcarbamoyl)-1-isopropyl-4-oxo-pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[5-[(cyclohexylmethylamino)-oxomethyl]-4-oxo-1-propan-2-yl-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[5-(cyclohexylmethylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-(cyclohexylmethylcarbamoyl)-1-isopropyl-4-keto-nicotinoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCC2C(=O)OC)C(=O)NCC3CCCCC3

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCC[C@H]2C(=O)OC)C(=O)NCC3CCCCC3

InChI

InChI=1S/C23H33N3O5/c1-15(2)25-13-17(21(28)24-12-16-8-5-4-6-9-16)20(27)18(14-25)22(29)26-11-7-10-19(26)23(30)31-3/h13-16,19H,4-12H2,1-3H3,(H,24,28)/t19-/m0/s1