| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H23F4N5OS.C4H6O6 |
| Molecular Weight | 631.596 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1C(SCCCN2C[C@@H]3C[C@@]3(C2)C4=CC=C(C=C4F)C(F)(F)F)=NN=C1C5=C(C)N=CO5
InChI
InChIKey=OTXHYNSABCZZKN-JCMKDLKJSA-N
InChI=1S/C22H23F4N5OS.C4H6O6/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26;5-1(3(7)8)2(6)4(9)10/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t15-,21-;1-,2-/m01/s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C22H23F4N5OS |
| Molecular Weight | 481.51 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
