| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H24N4O2S.C4H6O4 |
| Molecular Weight | 526.605 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2CC3=CC=C(OC4=NC5=NC=CC=C5S4)C=C3
InChI
InChIKey=ASCCNTPYAKLKGG-WBKVAJJRSA-N
InChI=1S/C22H24N4O2S.C4H6O4/c1-14(27)24-16-11-17-6-7-18(12-16)26(17)13-15-4-8-19(9-5-15)28-22-25-21-20(29-22)3-2-10-23-21;5-3(6)1-2-4(7)8/h2-5,8-10,16-18H,6-7,11-13H2,1H3,(H,24,27);1-2H2,(H,5,6)(H,7,8)/t16-,17+,18-;
| Molecular Formula | C22H24N4O2S |
| Molecular Weight | 408.517 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
