| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C32H47FN6O4S.3C4H4O4 |
| Molecular Weight | 1609.85 |
| Optical Activity | NONE |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CCN(C(C)C)C(=O)C1=CC(F)=CC=C1OC2=C(N=CN=C2)N3CC4(C3)CCN(C[C@H]5CC[C@@H](CC5)NS(=O)(=O)CC)CC4.CCN(C(C)C)C(=O)C6=CC(F)=CC=C6OC7=C(N=CN=C7)N8CC9(C8)CCN(C[C@H]%10CC[C@@H](CC%10)NS(=O)(=O)CC)CC9
InChI
InChIKey=AXNUWYROYVRYIM-OQIJCFCCSA-N
InChI=1S/2C32H47FN6O4S.3C4H4O4/c2*1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2;3*5-3(6)1-2-4(7)8/h2*9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*24-,26-;;;
| Molecular Formula | C32H47FN6O4S |
| Molecular Weight | 630.817 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| StereoComments | RELATIVE STEREOCHEMISTRY |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
3 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
