ODA
Summary
| Name: | 9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID |
| Formula: | C10 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 241.244 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | (1S,9S)-9-azanyl-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH]1CCC(=O)N2CCC[CH](N2C1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(N2C(=O)C(CCC(=O)N2C1)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | NWQJXXUYZOCKFS-BQBZGAKWSA-N |
