Analyte Name

N-Methylcarboxy N,N'-bis(5-propylsulfanyl-benimidazole-2-yl)urea

Molecular Formula

C23H26N6O3S2

Molecular Weight

498.62

Accurate Mass

498.15

SMILES

CCCSC1=CC(N=C(NC(N(C(OC)=O)C2=NC(C=C(SCCC)C=C3)=C3N2)=O)N4)=C4C=C1

InChI

InChI=1S/C23H26N6O3S2/c1-4-10-33-14-6-8-16-18(12-14)25-20(24-16)28-22(30)29(23(31)32-3)21-26-17-9-7-15(34-11-5-2)13-19(17)27-21/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,26,27)(H2,24,25,28,30)

IUPAC

(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat