Analyte Name

2,5-Dichloro-N-(2-(((1R)-1-((3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl)-3-methylbutyl)amino)-2-oxoethyl)-benzamide-13C2,15N

Molecular Formula

13C2 C22 H33 B Cl2 15N N O4

Molecular Weight

498.226

Accurate Mass

497.195

SMILES

CC(C)C[C@H](N[13C](=O)[13CH2][15NH]C(=O)c1cc(Cl)ccc1Cl)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2

InChI

InChI=1S/C24H33BCl2N2O4/c1-13(2)8-20(25-32-19-10-14-9-18(23(14,3)4)24(19,5)33-25)29-21(30)12-28-22(31)16-11-15(26)6-7-17(16)27/h6-7,11,13-14,18-20H,8-10,12H2,1-5H3,(H,28,31)(H,29,30)/t14-,18-,19+,20-,24-/m0/s1/i12+1,21+1,28+1

IUPAC

2,5-dichloro-N-[2-[[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]amino]-2-oxo(1,2-13C2)ethyl](15N)benzamide

Unlabelled CAS Number

1201903-02-7

SIL Type

Nitrogen, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat