| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H32N6O.C4H4O4.H2O |
| Molecular Weight | 614.6914 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)\C=C/C(O)=O.CC1=NC2=CC=CC(N3CCN(CCC4=C5CCC6=C(N=CN6C5=CC=C4C)C(N)=O)CC3)=C2C=C1
InChI
InChIKey=GZKFZADPUZWVEJ-FJOGWHKWSA-N
InChI=1S/C29H32N6O.C4H4O4.H2O/c1-19-6-10-26-22(9-11-27-28(29(30)36)31-18-35(26)27)21(19)12-13-33-14-16-34(17-15-33)25-5-3-4-24-23(25)8-7-20(2)32-24;5-3(6)1-2-4(7)8;/h3-8,10,18H,9,11-17H2,1-2H3,(H2,30,36);1-2H,(H,5,6)(H,7,8);1H2/b;2-1-;
| Molecular Formula | C29H32N6O |
| Molecular Weight | 480.604 |
| 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 | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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 |
