ACP-TMP
Product Code
TRC-A376980-50MG
Product Format
Neat
Molecular Formula
C45 H58 Cl F3 N8 O11 S2
Molecular Weight
1043.567
Product Categories
Product Information
Chemical Data
Analyte Name
3-chloro-N-(3-(2-(2-(3-(3-(4-((2,4-diaminopyrimidin-5-yl)methyl)-2,6-dimethoxyphenoxy)propanoylamino)propoxy)ethoxy)ethoxy)propyl)-4-(2-((2-methyl-2-(5-(trifluoromethyl)pyridin-2-yl)sulfonylpropanoyl)amino)ethylsulfanyl)benzamide
Molecular Formula
C45 H58 Cl F3 N8 O11 S2
Molecular Weight
1043.567
Accurate Mass
1042.331
SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCC(=O)NCCCOCCOCCOCCCNC(=O)c3ccc(SCCNC(=O)C(C)(C)S(=O)(=O)c4ccc(cn4)C(F)(F)F)c(Cl)c3
InChI
InChI=1S/C45H58ClF3N8O11S2/c1-44(2,70(61,62)38-10-8-32(28-55-38)45(47,48)49)42(60)54-14-22-69-36-9-7-30(26-33(36)46)41(59)53-13-6-16-66-19-21-67-20-18-65-15-5-12-52-37(58)11-17-68-39-34(63-3)24-29(25-35(39)64-4)23-31-27-56-43(51)57-40(31)50/h7-10,24-28H,5-6,11-23H2,1-4H3,(H,52,58)(H,53,59)(H,54,60)(H4,50,51,56,57)
IUPAC
3-chloro-N-[3-[2-[2-[3-[3-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]-4-[2-[[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanoyl]amino]ethylsulfanyl]benzamide
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat