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

Systemtic Name: methyl (2S)-1-[5-(cyclooctylcarbamoyl)-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[5-(cyclooctylcarbamoyl)-4-oxo-1-(2-pyridylmethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[5-[(cyclooctylamino)-oxomethyl]-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[5-(cyclooctylcarbamoyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-(cyclooctylcarbamoyl)-4-keto-1-(2-pyridylmethyl)nicotinoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCCC3)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=CN(C=C(C2=O)C(=O)NC3CCCCCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H34N4O5/c1-36-27(35)23-13-9-15-31(23)26(34)22-18-30(16-20-12-7-8-14-28-20)17-21(24(22)32)25(33)29-19-10-5-3-2-4-6-11-19/h7-8,12,14,17-19,23H,2-6,9-11,13,15-16H2,1H3,(H,29,33)/t23-/m0/s1