(5-aminocarbonyl-2-adamantyl) (3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate

Systemtic Name: (5-aminocarbonyl-2-adamantyl) (3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate Openeye Name: (5-carbamoyl-2-adamantyl) (3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate CAS Name: (3R)-3-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]-1-pyrrolidinecarboxylic acid (5-carbamoyl-2-adamantyl) ester IUPAC Name: (5-carbamoyl-2-adamantyl) (3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate Traditional Name: (3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid (5-carbamoyl-2-adamantyl) ester Formula: C21H26F3N5O3 MolecularWeight: 453.45805

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC=CC(=N2)C(F)(F)F)C(=O)OC3C4CC5CC3CC(C5)(C4)C(=O)N

Isomeric SMILES

C1CN(C[C@@H]1NC2=NC=CC(=N2)C(F)(F)F)C(=O)OC3C4CC5CC3CC(C5)(C4)C(=O)N

InChI

InChI=1S/C21H26F3N5O3/c22-21(23,24)15-1-3-26-18(28-15)27-14-2-4-29(10-14)19(31)32-16-12-5-11-6-13(16)9-20(7-11,8-12)17(25)30/h1,3,11-14,16H,2,4-10H2,(H2,25,30)(H,26,27,28)/t11?,12?,13?,14-,16?,20?/m1/s1