(2S)-1-(2-{[(5R,7S)-3-hydroxyadamantan-1-yl]amino}acetyl)(2,5,5-²H?)pyrrolidine-2-carbonitrile

CAS: 1217546-82-1

Formula: C17H25N3O2

SMILES: [H][C@]12C[C@]3([H])CC(O)(C1)CC(C2)(C3)NCC(=O)N1C([2H])([2H])CC[C@@]1([2H])C#N

IUPAC: (2S)-1-(2-{[(5R,7S)-3-hydroxyadamantan-1-yl]amino}acetyl)(2,5,5-²H?)pyrrolidine-2-carbonitrile

InChI: InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16?,17?/m0/s1/i3D2,14D

Composition: C (66.64%), H (7.24%), [2H] (1.97%), N (13.71%), O (10.44%)

Molar Mass: 306.424

Atom Count: 47

Heavy Atom Count: 22