Analyte Name

N1-(5-Chloro-2-pyridinyl)-N2-((1S,2R,4S)-4-((methylamino)carbonyl)-2-(((4,5,6,7-tetrahydro-5-methylthiazolo(5,4-c)pyridin-2-yl)carbonyl)amino)cyclohexyl)ethanediamide

CAS Number

740794-83-6

Molecular Formula

C23 H28 Cl N7 O4 S

Molecular Weight

534.031

Accurate Mass

533.161

SMILES

CNC(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](C1)NC(=O)c3nc4CCN(C)Cc4s3

InChI

InChI=1S/C23H28ClN7O4S/c1-25-19(32)12-3-5-14(27-20(33)21(34)30-18-6-4-13(24)10-26-18)16(9-12)28-22(35)23-29-15-7-8-31(2)11-17(15)36-23/h4,6,10,12,14,16H,3,5,7-9,11H2,1-2H3,(H,25,32)(H,27,33)(H,28,35)(H,26,30,34)/t12-,14-,16+/m0/s1

IUPAC

N-(5-chloropyridin-2-yl)-N'-[(1S,2R,4S)-4-(methylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat