| PDB CCD ID: | RNG |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C11 H16 N2 O4 |
| InChI: | InChI=1S/C11H16N2O4/c14-9-4-1-5-10(15)13-8(7-11(16)17)3-2-6-12(9)13/h8H,1-7H2,(H,16,17)/t8-/m1/s1 |
| InChIKey: | PDRXEYTZAMUQQR-MRVPVSSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C1N2N(C(=O)CCC1)C(CCC2)CC=O | | OpenEye OEToolkits 2.0.7 | C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC(=O)O | | CACTVS 3.385 | OC(=O)C[C@H]1CCCN2N1C(=O)CCCC2=O | | OpenEye OEToolkits 2.0.7 | C1CC(N2C(=O)CCCC(=O)N2C1)CC(=O)O | | CACTVS 3.385 | OC(=O)C[CH]1CCCN2N1C(=O)CCCC2=O |
|
| Name: | (6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT;
FUSED RING FRAGMENT OF INHIBITOR |
| ZINC: | ZINC000058632541 |
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