(3-methyl-1,2-oxazol-5-yl)methyl (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (3-methylisoxazol-5-yl)methyl (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid (3-methylisoxazol-5-yl)methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5/c1-12-2-17(28-22-12)11-27-19(25)18-6-16(24)10-23(18)20(26)21-7-13-3-14(8-21)5-15(4-13)9-21/h2,13-16,18,24H,3-11H2,1H3/t13?,14?,15?,16?,18-,21?/m0/s1