RNG
Summary
| Name: | (6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT |
| Synonyms: | FUSED RING FRAGMENT OF INHIBITOR |
| Formula: | C11 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 240.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1R)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]acetaldehyde |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{R})-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1~{H}-pyridazino[1,2-a][1,2]diazepin-4-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N2N(C(=O)CCC1)C(CCC2)CC=O |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | PDRXEYTZAMUQQR-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H]1CCCN2N1C(=O)CCCC2=O |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1CCCN2N1C(=O)CCCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(N2C(=O)CCCC(=O)N2C1)CC(=O)O |
