[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)[C@@H]2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C27H36N2O6/c1-13-22(15(3)30)14(2)28-23(13)24(32)16(4)35-25(33)21-8-20(31)12-29(21)26(34)27-9-17-5-18(10-27)7-19(6-17)11-27/h16-21,28,31H,5-12H2,1-4H3/t16?,17?,18?,19?,20?,21-,27?/m0/s1