![Glycine, (2R)-N-[[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]-2-phenylglycyl-, 1,1-dimethylethyl ester (9CI) structure, CAS 439088-54-7](/structures/210000/188658_2_439088_54_7.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 439088-54-7 |
| Catalog No. | 2A-1187310 |
| Chinese Name | tert-Butyl Elobixibat |
| Molecular Formula | C40H53N3O7S2 |
| Molecular Weight | 752.0 |
| Purity | 98.00 |
| PubChem ID | 229795785 |
| SMILES | CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)NC(C(=O)NCC(=O)OC(C)(C)C)c3ccccc3)cc2S(=O)(=O)C1 |
| InChI | InChI=1S/C40H53N3O7S2/c1-7-9-21-40(22-10-8-2)27-43(30-19-15-12-16-20-30)31-23-33(51-6)32(24-34(31)52(47,48)28-40)49-26-35(44)42-37(29-17-13-11-14-18-29)38(46)41-25-36(45)50-39(3,4)5/h11-20,23-24,37H,7-10,21-22,25-28H2,1-6H3,(H,41,46)(H,42,44)/t37-/m1/s1 |
| InChI Key | XSVUMBDBVUKDQT-DIPNUNPCSA-N |
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