Ethyl Ester Elobixibat

Product Specifications

Hazard Statement

No Data Available

Smiles

CCCCC1(CCCC)CN(c2ccccc2)c3cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)OCC)c4ccccc4)cc3S(=O)(=O)C1

Molecular Formula

C38 H49 N3 O7 S2

Molecular Weight

723.942

InChI

InChI=1S/C38H49N3O7S2/c1-5-8-20-38(21-9-6-2)26-41(29-18-14-11-15-19-29)30-22-32(49-4)31(23-33(30)50(45,46)27-38)48-25-34(42)40-36(28-16-12-10-13-17-28)37(44)39-24-35(43)47-7-3/h10-19,22-23,36H,5-9,20-21,24-27H2,1-4H3,(H,39,44)(H,40,42)/t36-/m1/s1

Additionnal Information

IUPAC name: ethyl 2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetate