Chemical Compounds of Interest

(Q35)

Statements

SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₂N₈O₅
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
1 reference
based on heuristic
inferred from SMILES
AOP-Wiki Stressor ID
537
0 references
 
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