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Elobixibat Acid Methyl Ester Impurity

SZ CAT No SZ-E072012
CAS No NA
Mol.F. C37H47N3O7S2
Mol.Wt. 709.9
Inv. Status Custom Synthesis


Chemical Name: Methyl (R)-(2-(2-((3,3-dibutyl-7-(methylthio)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-8-yl)oxy)acetamido)-2-phenylacetyl)glycinate

Smiles: CCCCC(C1)(CCCC)CN(C2=CC=CC=C2)C3=CC(SC)=C(OCC(N[C@@H](C(NCC(OC)=O)=O)C4=CC=CC=C4)=O)C=C3S1(=O)=O

Inchi: InChI=1S/C39H51N3O7S2/c1-7-9-21-39(20-8-2)26-41(29-18-14-11-15-19-29)30-22-32(50-6)31(23-33(30)51(47,48)27-39)49-25-34(43)42(38(3,4)5)36(28-16-12-10-13-17-28)37(46)40-24-35(44)45/h10-19,22-23,36H,7-9,20-21,24-27H2,1-6H3,(H,40,46)(H,44,45)/t36-,39?/m1/s1