| Stereochemistry | EPIMERIC |
| Molecular Formula | C21H24N8O5.2H2O |
| Molecular Weight | 504.4964 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CC(N(C)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2=NC3=C(N)N=C(N)N=C3N=C2
InChI
InChIKey=OVSAHNHYPVHZGQ-JQRWPJOOSA-N
InChI=1S/C21H24N8O5.2H2O/c1-10(14-9-24-18-16(25-14)17(22)27-21(23)28-18)29(2)12-5-3-11(4-6-12)19(32)26-13(20(33)34)7-8-15(30)31;;/h3-6,9-10,13H,7-8H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28);2*1H2/t10?,13-;;/m0../s1
| Molecular Formula | C21H24N8O5 |
| Molecular Weight | 468.4659 |
| 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 |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
