Analyte Name

(2E)-2-((4S)-1-((1S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-((2-(3-methoxyphenyl)-2-oxoethyl)thio)piperidin-3-ylidene)acetic Acid

CAS Number

1430373-08-2

Molecular Formula

C25 H26 Cl N O6 S

Molecular Weight

503.995

Accurate Mass

503.117

SMILES

COC(=O)[C@@H](N1CC[C@H](SCC(=O)c2cccc(OC)c2)\C(=C\C(=O)O)\C1)c3ccccc3Cl

InChI

InChI=1S/C25H26ClNO6S/c1-32-18-7-5-6-16(12-18)21(28)15-34-22-10-11-27(14-17(22)13-23(29)30)24(25(31)33-2)19-8-3-4-9-20(19)26/h3-9,12-13,22,24H,10-11,14-15H2,1-2H3,(H,29,30)/b17-13+/t22-,24-/m0/s1

IUPAC

(2E)-2-[(4S)-1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat