Analyte Name

(2,5-dioxopyrrolidin-1-yl) 6-((2-(4-((E)-2-(2,2-difluoro-12-(1H-pyrrol-2-yl)-1-aza-3-azonia-2-boranuidatricyclo(7.3.0.03,7)dodeca-3,5,7,9,11-pentaen-4-yl)ethenyl)phenoxy)acetyl)amino)hexanoate

CAS Number

235439-04-0

Molecular Formula

C33 H32 B F2 N5 O6

Molecular Weight

643.445

Accurate Mass

643.241

SMILES

F[B-]1(F)[N+]2=C(\C=C\c3ccc(OCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)cc3)C=CC2=Cc5ccc(c6ccc[nH]6)n15

InChI

InChI=1S/C33H32BF2N5O6/c35-34(36)39-24(11-12-25(39)21-26-13-16-29(40(26)34)28-5-4-20-37-28)10-7-23-8-14-27(15-9-23)46-22-30(42)38-19-3-1-2-6-33(45)47-41-31(43)17-18-32(41)44/h4-5,7-16,20-21,37H,1-3,6,17-19,22H2,(H,38,42)/b10-7+

IUPAC

(2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-[(E)-2-[2,2-difluoro-12-(1H-pyrrol-2-yl)-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl]ethenyl]phenoxy]acetyl]amino]hexanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat