(1-cyanoindolizin-2-yl)methyl (2S,4S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S,4S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S,4S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=CN6C=CC=CC6=C5C#N)O

Isomeric SMILES

C1[C@@H](CN([C@@H]1C(=O)OCC2=CN3C=CC=CC3=C2C#N)C(=O)C45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C26H29N3O4/c27-12-21-19(13-28-4-2-1-3-22(21)28)15-33-24(31)23-8-20(30)14-29(23)25(32)26-9-16-5-17(10-26)7-18(6-16)11-26/h1-4,13,16-18,20,23,30H,5-11,14-15H2/t16?,17?,18?,20-,23-,26?/m0/s1