(1R,2R)-2-(N-1,2,3,4-13C4-Octanoyl)-amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(N-oxo-pyrrolidin-1-yl)propan-1-ol

Analyte Name

(1R,2R)-2-(N-1,2,3,4-13C4-Octanoyl)-amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(N-oxo-pyrrolidin-1-yl)propan-1-ol

Molecular Formula

13C4 C19 H36 N2 O4

Molecular Weight

408.514

Accurate Mass

408.281

SMILES

CCCC[13CH2][13CH2][13CH2][13C](=O)N[C@H](CN1CCCC1)[C@H](O)c2ccc3OCCOc3c2

InChI

InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1/i5+1,6+1,9+1,22+1

IUPAC

N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl](1,2,3,4-13C4)octanamide

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat