9JC
Summary
| Name: | 4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde |
| Formula: | C11 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 217.224 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(aminomethyl)-8-azanyl-quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16) |
| InChIKey | InChI | 1.06 | AMKRFCLMQBLGKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cc(nc2c(N)cccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | NCc1cc(nc2c(N)cccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(nc2c(c1)N)C(=O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(nc2c(c1)N)C(=O)O)CN |
