Stereochemistry | EPIMERIC |
Molecular Formula | C20H23N7O6 |
Molecular Weight | 457.4399 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC2=C(N3CN(CC3CN2)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)N1
InChI
InChIKey=QYNUQALWYRSVHF-ABLWVSNPSA-N
InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m0/s1
Molecular Formula | C20H23N7O6 |
Molecular Weight | 457.4399 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |