Stereochemistry | ABSOLUTE |
Molecular Formula | C20H21N7O6 |
Molecular Weight | 455.424 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(CC1=NC2=C(N=C1)N=C(N)NC2=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI
InChIKey=HLIXOCXUWGDBNP-ZDUSSCGKSA-N
InChI=1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1