Analyte Name

N1-[2-[3',6'-bis(diethylamino)-3-oxospiro[1H-isoindole-1,9'-[9H]xanthene]-2(2H)-yl]ethyl]-N4-[6-[6-(2-pyridinyl)-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]-Butanediamide

CAS Number

2058050-75-0

Molecular Formula

C46H47N11O4

Molecular Weight

817.94

Accurate Mass

817.38

SMILES

CCN(C1=CC2=C(C3(C4=CC=CC=C4C(N3CCNC(CCC(NC5=CC=C(C6=NN=C(C7=NC=CC=C7)N=N6)N=C5)=O)=O)=O)C8=C(C=C(N(CC)CC)C=C8)O2)C=C1)CC

InChI

InChI=1S/C46H47N11O4/c1-5-55(6-2)31-17-19-35-39(27-31)61-40-28-32(56(7-3)8-4)18-20-36(40)46(35)34-14-10-9-13-33(34)45(60)57(46)26-25-48-41(58)22-23-42(59)50-30-16-21-38(49-29-30)44-53-51-43(52-54-44)37-15-11-12-24-47-37/h9-21,24,27-29H,5-8,22-23,25-26H2,1-4H3,(H,48,58)(H,50,59)

IUPAC

N1-(2-(3',6'-bis(diethylamino)-3-oxospiro[isoindoline-1,9'-xanthen]-2-yl)ethyl)-N4-(6-(6-(pyridin-2-yl)-1,2,4,5-tetrazin-3-yl)pyridin-3-yl)succinamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat