Analyte Name

2-[[6-[[5-Chloro-2-[(3R,5S)-3,5-dimethyl-1-piperidyl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-3-quinolyl]oxy]-2-methyl-propanoic Acid

Molecular Formula

C25H30ClN5O4

Molecular Weight

499.99

Accurate Mass

499.2

SMILES

CC(C)(OC1=CC2=C(N(C)C1=O)C=CC(NC3=NC(N4C[C@@H](C)C[C@@H](C)C4)=NC=C3Cl)=C2)C(O)=O

InChI

InChI=1S/C25H30ClN5O4/c1-14-8-15(2)13-31(12-14)24-27-11-18(26)21(29-24)28-17-6-7-19-16(9-17)10-20(22(32)30(19)5)35-25(3,4)23(33)34/h6-7,9-11,14-15H,8,12-13H2,1-5H3,(H,33,34)(H,27,28,29)/t14-,15+

IUPAC

2-[[6-[[5-Chloro-2-[(3R,5S)-3,5-dimethyl-1-piperidyl]pyrimidin-4-yl]amino]-1-methyl-2-oxo-3-quinolyl]oxy]-2-methyl-propanoic Acid

Country of Origin

CANADA

Product Format

Neat