| Stereochemistry | ABSOLUTE |
| Molecular Formula | C33H42F3N5O3.C4H4O4 |
| Molecular Weight | 729.7856 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CCOC1=C(C=CC=C1)C2=CC=C(N3CCN(C[C@H]3CC)C(=O)C4(CCC4)C(F)(F)F)C(=N2)C(=O)N[C@@H]5CN6CCC5CC6
InChI
InChIKey=HPALYDBXMGJENX-WNAOAIPDSA-N
InChI=1S/C33H42F3N5O3.C4H4O4/c1-3-23-20-40(31(43)32(14-7-15-32)33(34,35)36)18-19-41(23)27-11-10-25(24-8-5-6-9-28(24)44-4-2)37-29(27)30(42)38-26-21-39-16-12-22(26)13-17-39;5-3(6)1-2-4(7)8/h5-6,8-11,22-23,26H,3-4,7,12-21H2,1-2H3,(H,38,42);1-2H,(H,5,6)(H,7,8)/b;2-1-/t23-,26-;/m1./s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C33H42F3N5O3 |
| Molecular Weight | 613.7135 |
| 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 |
