| Stereochemistry | ABSOLUTE |
| Molecular Formula | C24H25N7O5.C7H8O3S |
| Molecular Weight | 663.701 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC(=CC=N2)C3=NC(=CO3)C(=O)NC4=C(N=C5N=C(OC5=C4)N6CCOCC6)N7CC[C@@H](O)C7
InChI
InChIKey=XJMGSZLODKNAJQ-PKLMIRHRSA-N
InChI=1S/C24H25N7O5.C7H8O3S/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30;1-6-2-4-7(5-3-6)11(8,9)10/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33);2-5H,1H3,(H,8,9,10)/t16-;/m1./s1
| Molecular Formula | C24H25N7O5 |
| Molecular Weight | 491.4992 |
| 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 |
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| 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 |
