N'-(5-chloropyridin-2-yl)-N-[(1S,2S,4R)-4-(dimethylcarbamoyl)-2-{5-methyl-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-amido}cyclohexyl]ethanediamide; para-toluene sulfonate

CAS: 1255529-28-2

Formula: C31H38ClN7O7S2

SMILES: CC1=CC=C(C=C1)S(O)(=O)=O.CN(C)C(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NC2=CC=C(Cl)C=N2)[C@H](C1)NC(=O)C1=NC2=C(CN(C)CC2)S1

IUPAC: 4-methylbenzene-1-sulfonic acid; N'-(5-chloropyridin-2-yl)-N-[(1S,2S,4R)-4-(dimethylcarbamoyl)-2-{5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-amido}cyclohexyl]ethanediamide

InChI: InChI=1S/C24H30ClN7O4S.C7H8O3S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34);2-5H,1H3,(H,8,

Composition: C (51.70%), H (5.32%), Cl (4.92%), N (13.61%), O (15.55%), S (8.90%)

Molar Mass: 720.26

Atom Count: 86

Heavy Atom Count: 48