Analyte Name

((1R,2R)-2-(((1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo(5.2.1.02,6)decan-4-yl)methyl)cyclohexyl)methyl 4-(1,2-benzothiazol-3-yl)piperazine-1-carboxylate

Molecular Formula

C29 H36 N4 O4 S

Molecular Weight

536.686

Accurate Mass

536.246

SMILES

O=C(OC[C@@H]1CCCC[C@H]1CN2C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)N5CCN(CC5)c6nsc7ccccc67

InChI

InChI=1S/C29H36N4O4S/c34-27-24-18-9-10-19(15-18)25(24)28(35)33(27)16-20-5-1-2-6-21(20)17-37-29(36)32-13-11-31(12-14-32)26-22-7-3-4-8-23(22)38-30-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1

IUPAC

[(1R,2R)-2-[[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]methyl]cyclohexyl]methyl 4-(1,2-benzothiazol-3-yl)piperazine-1-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat