| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H29FN4O2.C8H8O3 |
| Molecular Weight | 564.6477 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H](C(O)=O)C1=CC=CC=C1.C[C@H]2C[C@]3(CC4=CC=C(C=C4[C@]35N=C(N)N(CC(C)(C)F)C5=O)C#N)C[C@@H](C)[C@@H]2O
InChI
InChIKey=HGILRENQTLYZDM-MFUIFCPXSA-N
InChI=1S/C23H29FN4O2.C8H8O3/c1-13-8-22(9-14(2)18(13)29)10-16-6-5-15(11-25)7-17(16)23(22)19(30)28(20(26)27-23)12-21(3,4)24;9-7(8(10)11)6-4-2-1-3-5-6/h5-7,13-14,18,29H,8-10,12H2,1-4H3,(H2,26,27);1-5,7,9H,(H,10,11)/t13-,14+,18+,22+,23-;7-/m10/s1
| Molecular Formula | C23H29FN4O2 |
| Molecular Weight | 412.5004 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
