| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H24N8O5S.BrH |
| Molecular Weight | 593.454 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Br.NC1=NC2=C(N=C(CN3CCSC4=CC(=CC=C34)C(=O)N[C@@H](CCCC(O)=O)C(O)=O)C=N2)C(N)=N1
InChI
InChIKey=ZUMKKFZRNNLOQE-ZOWNYOTGSA-N
InChI=1S/C22H24N8O5S.BrH/c23-18-17-19(29-22(24)28-18)25-9-12(26-17)10-30-6-7-36-15-8-11(4-5-14(15)30)20(33)27-13(21(34)35)2-1-3-16(31)32;/h4-5,8-9,13H,1-3,6-7,10H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29);1H/t13-;/m0./s1
| Molecular Formula | BrH |
| Molecular Weight | 80.912 |
| 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 |
| Molecular Formula | C22H24N8O5S |
| Molecular Weight | 512.542 |
| 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 |
