Analyte Name

BDY TMR-X, SE

CAS Number

217190-15-3

Molecular Formula

C31 H35 B F2 N4 O6

Molecular Weight

608.441

Accurate Mass

608.262

SMILES

[F-][B+3]1([F-])n2c(C=C3C(=C(CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C(=[N-]13)C)C)ccc2c5ccc(OC)cc5

InChI

InChI=1S/C31H35BF2N4O6/c1-20-25(13-15-28(39)35-18-6-4-5-7-31(42)44-38-29(40)16-17-30(38)41)21(2)36-27(20)19-23-10-14-26(37(23)32(36,33)34)22-8-11-24(43-3)12-9-22/h8-12,14,19H,4-7,13,15-18H2,1-3H3,(H,35,39)

IUPAC

(2,5-dioxopyrrolidin-1-yl) 6-[3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl]propanoylamino]hexanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat