Analyte Name

Des-(3-Amino-3-iminopropyl) N-(2-Cyanoethyl) Netropsin Dihydrochloride

Molecular Formula

C18H23N9O3 • 2HCl

Molecular Weight

486.36

Accurate Mass

485.15

SMILES

O=C(C1=CC(NC(CNC(N)=N)=O)=CN1C)NC2=CN(C)C(C(NCCC#N)=O)=C2

InChI

InChI=1S/C18H23N9O3.2ClH/c1-26-10-12(7-13(26)16(29)22-5-3-4-19)25-17(30)14-6-11(9-27(14)2)24-15(28)8-23-18(20)21;;/h6-7,9-10H,3,5,8H2,1-2H3,(H,22,29)(H,24,28)(H,25,30)(H4,20,21,23);2*1H

IUPAC

N-(2-cyanoethyl)-4-(4-(2-guanidinoacetamido)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamide hydrogen chloride

Alternate CAS Number

97950-72-6

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat