Chemical Component Summary | |
|---|---|
| Name | Agelastatin A |
| Formula | C12 H13 Br N4 O3 |
| Molecular Weight | 341.161 |
| Type | NON-POLYMER |
| Isomeric SMILES | CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)c4n3c(cc4)Br)O |
| InChI | InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1 |
| InChIKey | MPASKXAEPUAMBS-WJOUQXRDSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 33 |
| Chiral Atom Count | 4 |
| Bond Count | 36 |
| Aromatic Bond Count | 5 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 177936 |
| ChEMBL | CHEMBL1096256 |
| CCDC/CSD | GAGZOF |
