Analyte Name

Des-Glycinyl Elobixibat

CAS Number

439086-76-7

Molecular Formula

C34 H42 N2 O6 S2

Molecular Weight

638.837

Accurate Mass

638.248

SMILES

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

InChI

InChI=1S/C34H42N2O6S2/c1-4-6-18-34(19-7-5-2)23-36(26-16-12-9-13-17-26)27-20-29(43-3)28(21-30(27)44(40,41)24-34)42-22-31(37)35-32(33(38)39)25-14-10-8-11-15-25/h8-17,20-21,32H,4-7,18-19,22-24H2,1-3H3,(H,35,37)(H,38,39)/t32-/m1/s1

IUPAC

(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1?6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat