Analyte Name

(Z)-7-[(1S,3S,4R,5R)-4-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

CAS Number

209268-36-0

Molecular Formula

C25 H31 N O4 S

Molecular Weight

441.583

Accurate Mass

441.197

SMILES

CC1(C)[C@H]2C[C@H](C\C=C/CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2

InChI

InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1

IUPAC

(Z)-7-[(1S,3S,4R,5R)-4-[(5-hydroxy-1-benzothiophene-3-carbonyl)amino]-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat