4-[[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-3-[[(4,5,6,7-tetrahydro-5-methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]amino]-, ethyl ester, (1S,3R,4S)-cyclohexanecarboxylic acid

Analyte Name

4-((2-((5-Chloro-2-pyridinyl)amino)-2-oxoacetyl)amino)-3-(((4,5,6,7-tetrahydro-5-methylthiazolo(5,4-c)pyridin-2-yl)carbonyl)amino)-, ethyl ester, (1S,3R,4S)-cyclohexanecarboxylic acid

CAS Number

1093351-29-1

Molecular Formula

C24H29ClN6O5S

Molecular Weight

549.04

Accurate Mass

548.1609

SMILES

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

InChI

InChI=1S/C24H29ClN6O5S/c1-3-36-24(35)13-4-6-15(27-20(32)21(33)30-19-7-5-14(25)11-26-19)17(10-13)28-22(34)23-29-16-8-9-31(2)12-18(16)37-23/h5,7,11,13,15,17H,3-4,6,8-10,12H2,1-2H3,(H,27,32)(H,28,34)(H,26,30,33)/t13-,15-,17+/m0/s1

IUPAC

ethyl (1S,3R,4S)-4-[[2-[(5-chloropyridin-2-yl)amino]-2-oxoacetyl]amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat