| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H32ClF4N7O2.C6H10O4 |
| Molecular Weight | 768.198 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, R |
SHOW SMILES / InChI
SMILES
OC(=O)CCCCC(O)=O.C[C@H]1CN(CCN1C2=C3C=C(Cl)C(=C(F)C3=NC(OC[C@@H]4CCCN4C)=N2)C5=NC(N)=CC(C)=C5C(F)(F)F)C(=O)C=C
InChI
InChIKey=KUWNSHZGOCXVAI-QJHJCNPRSA-N
InChI=1S/C29H32ClF4N7O2.C6H10O4/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4;7-5(8)3-1-2-4-6(9)10/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36);1-4H2,(H,7,8)(H,9,10)/t16-,17-;/m0./s1
| Molecular Formula | C29H32ClF4N7O2 |
| Molecular Weight | 622.057 |
| 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 | C6H8O4 |
| Molecular Weight | 144.1253 |
| Charge | -2 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
