[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-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-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-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-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)[C@@H]2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C27H36N2O5/c1-15-4-5-16(2)22(6-15)28-24(31)17(3)34-25(32)23-10-21(30)14-29(23)26(33)27-11-18-7-19(12-27)9-20(8-18)13-27/h4-6,17-21,23,30H,7-14H2,1-3H3,(H,28,31)/t17?,18?,19?,20?,21?,23-,27?/m0/s1