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Elobixibat Tertiary-butyl Impurity

SZ CAT No SZ-E072007
CAS No NA
Mol.F. C40H53N3O7S2
Mol.Wt. 752
Inv. Status Under Synthesis


Chemical Name: (R)-N-(Tert-butyl)-N-(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)glycine

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

Inchi: InChI=1S/C35H44N2O6S2/c1-5-7-19-35(20-8-6-2)24-37(27-17-13-10-14-18-27)28-21-30(44-4)29(22-31(28)45(40,41)25-35)43-23-32(38)36-33(34(39)42-3)26-15-11-9-12-16-26/h9-18,21-22,33H,5-8,19-20,23-25H2,1-4H3,(H,36,38)/t33-/m1/s1