(5-oxidanyl-2-adamantyl) (3R)-3-(quinazolin-4-ylamino)pyrrolidine-1-carboxylate

Systemtic Name: (5-oxidanyl-2-adamantyl) (3R)-3-(quinazolin-4-ylamino)pyrrolidine-1-carboxylate Openeye Name: (5-hydroxy-2-adamantyl) (3R)-3-(quinazolin-4-ylamino)pyrrolidine-1-carboxylate CAS Name: (3R)-3-(4-quinazolinylamino)-1-pyrrolidinecarboxylic acid (5-hydroxy-2-adamantyl) ester IUPAC Name: (5-hydroxy-2-adamantyl) (3R)-3-(quinazolin-4-ylamino)pyrrolidine-1-carboxylate Traditional Name: (3R)-3-(quinazolin-4-ylamino)pyrrolidine-1-carboxylic acid (5-hydroxy-2-adamantyl) ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC=NC3=CC=CC=C32)C(=O)OC4C5CC6CC4CC(C6)(C5)O

Isomeric SMILES

C1CN(C[C@@H]1NC2=NC=NC3=CC=CC=C32)C(=O)OC4C5CC6CC4CC(C6)(C5)O

InChI

InChI=1S/C23H28N4O3/c28-22(30-20-15-7-14-8-16(20)11-23(29,9-14)10-15)27-6-5-17(12-27)26-21-18-3-1-2-4-19(18)24-13-25-21/h1-4,13-17,20,29H,5-12H2,(H,24,25,26)/t14?,15?,16?,17-,20?,23?/m1/s1